methyl 4-[[6-(hexanoylamino)-2,3,5-trimethyl-indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[6-(hexanoylamino)-2,3,5-trimethyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(hexanoylamino)-2,3,5-trimethyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[[2,3,5-trimethyl-6-(1-oxohexylamino)-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(hexanoylamino)-2,3,5-trimethylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(caproylamino)-2,3,5-trimethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C2C(=C(N(C2=C1)CC3=C(C=C(C=C3)C(=O)OC)OC)C)C)C

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C2C(=C(N(C2=C1)CC3=C(C=C(C=C3)C(=O)OC)OC)C)C)C

InChI

InChI=1S/C27H34N2O4/c1-7-8-9-10-26(30)28-23-15-24-22(13-17(23)2)18(3)19(4)29(24)16-21-12-11-20(27(31)33-6)14-25(21)32-5/h11-15H,7-10,16H2,1-6H3,(H,28,30)