methyl 4-[[5-[4-(dimethylamino)-4-oxidanylidene-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-[4-(dimethylamino)-4-oxidanylidene-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-[4-(dimethylamino)-4-oxo-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[4-(dimethylamino)-4-oxobutyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-[4-(dimethylamino)-4-oxobutyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-[4-(dimethylamino)-4-keto-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C27H34N2O4/c1-6-14-29-18-22(16-20-11-12-21(27(31)33-5)17-25(20)32-4)23-15-19(10-13-24(23)29)8-7-9-26(30)28(2)3/h10-13,15,17-18H,6-9,14,16H2,1-5H3