[6-[2-(butylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl 3-methoxy-2-methyl-benzoate

Systemtic Name: [6-[2-(butylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl 3-methoxy-2-methyl-benzoate Openeye Name: [6-[2-(butylamino)-2-oxo-ethyl]indol-1-yl]methyl 3-methoxy-2-methyl-benzoate CAS Name: 3-methoxy-2-methylbenzoic acid [6-[2-(butylamino)-2-oxoethyl]-1-indolyl]methyl ester IUPAC Name: [6-[2-(butylamino)-2-oxoethyl]indol-1-yl]methyl 3-methoxy-2-methylbenzoate Traditional Name: 3-methoxy-2-methyl-benzoic acid [6-[2-(butylamino)-2-keto-ethyl]indol-1-yl]methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC2=C(C=C1)C=CN2COC(=O)C3=C(C(=CC=C3)OC)C

Isomeric SMILES

CCCCNC(=O)CC1=CC2=C(C=C1)C=CN2COC(=O)C3=C(C(=CC=C3)OC)C

InChI

InChI=1S/C24H28N2O4/c1-4-5-12-25-23(27)15-18-9-10-19-11-13-26(21(19)14-18)16-30-24(28)20-7-6-8-22(29-3)17(20)2/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,25,27)