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

Systemtic Name: methyl 4-[[5-(cyclopentylmethylcarbamoyl)-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-allyl-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(cyclopentylmethylamino)-oxomethyl]-1-prop-2-enyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(cyclopentylmethylcarbamoyl)-1-prop-2-enylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-allyl-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CC=C

InChI

InChI=1S/C28H32N2O4/c1-4-13-30-18-23(14-20-9-10-22(28(32)34-3)16-26(20)33-2)24-15-21(11-12-25(24)30)27(31)29-17-19-7-5-6-8-19/h4,9-12,15-16,18-19H,1,5-8,13-14,17H2,2-3H3,(H,29,31)