methyl 4-[[5-[2-(butylamino)-2-oxidanylidene-ethyl]-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-[2-(butylamino)-2-oxidanylidene-ethyl]-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-allyl-5-[2-(butylamino)-2-oxo-ethyl]indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-allyl-5-[2-(butylamino)-2-keto-ethyl]indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)CC=C

Isomeric SMILES

CCCCNC(=O)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)CC=C

InChI

InChI=1S/C27H32N2O4/c1-5-7-12-28-26(30)15-19-8-11-24-23(14-19)22(18-29(24)13-6-2)16-20-9-10-21(27(31)33-4)17-25(20)32-3/h6,8-11,14,17-18H,2,5,7,12-13,15-16H2,1,3-4H3,(H,28,30)