ethyl 4-[3-azanyl-2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]carbonylindole-1-carboxylate

Systemtic Name: ethyl 4-[3-azanyl-2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]carbonylindole-1-carboxylate Openeye Name: ethyl 4-[3-amino-2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]benzoyl]indole-1-carboxylate CAS Name: 4-[[3-amino-4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-oxomethyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]benzoyl]indole-1-carboxylate Traditional Name: 4-[3-amino-4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-benzoyl]indole-1-carboxylic acid ethyl ester Formula: C39H47N5O7 MolecularWeight: 697.81978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=C(C=CC=C21)C(=O)C3=C(C(=C(C=C3)C(=O)N(C)C4=C(C=C(C=C4)C)OCCCCCC(=O)N5CCN(CC5)C)N)OC

Isomeric SMILES

CCOC(=O)N1C=CC2=C(C=CC=C21)C(=O)C3=C(C(=C(C=C3)C(=O)N(C)C4=C(C=C(C=C4)C)OCCCCCC(=O)N5CCN(CC5)C)N)OC

InChI

InChI=1S/C39H47N5O7/c1-6-50-39(48)44-19-18-27-28(11-10-12-31(27)44)36(46)30-16-15-29(35(40)37(30)49-5)38(47)42(4)32-17-14-26(2)25-33(32)51-24-9-7-8-13-34(45)43-22-20-41(3)21-23-43/h10-12,14-19,25H,6-9,13,20-24,40H2,1-5H3