methyl 4-[[5-(hexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-(hexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(hexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[[1-methyl-5-(1-oxohexylamino)-3-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(hexanoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(caproylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

InChI

InChI=1S/C25H30N2O4/c1-5-6-7-8-24(28)26-20-11-12-22-21(15-20)19(16-27(22)2)13-17-9-10-18(25(29)31-4)14-23(17)30-3/h9-12,14-16H,5-8,13H2,1-4H3,(H,26,28)