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

Systemtic Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-allyl-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(cyclopentylmethylamino)-oxomethyl]-1-prop-2-enyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-prop-2-enylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-allyl-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-3-12-29-17-22(13-19-8-9-21(27(31)32)15-25(19)33-2)23-14-20(10-11-24(23)29)26(30)28-16-18-6-4-5-7-18/h3,8-11,14-15,17-18H,1,4-7,12-13,16H2,2H3,(H,28,30)(H,31,32)