2-[[6-(cyclopentylmethylcarbamoyl)-3-(3-morpholin-4-yl-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[6-(cyclopentylmethylcarbamoyl)-3-(3-morpholin-4-yl-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[6-(cyclopentylmethylcarbamoyl)-3-(3-morpholino-3-oxo-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[6-[(cyclopentylmethylamino)-oxomethyl]-3-[3-(4-morpholinyl)-3-oxopropyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[6-(cyclopentylmethylcarbamoyl)-3-(3-morpholin-4-yl-3-oxopropyl)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[6-(cyclopentylmethylcarbamoyl)-3-(3-keto-3-morpholino-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)N5CCOCC5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)N5CCOCC5)C(=O)O

InChI

InChI=1S/C31H37N3O6/c1-39-28-8-4-7-25(31(37)38)26(28)20-34-19-23(10-12-29(35)33-13-15-40-16-14-33)24-11-9-22(17-27(24)34)30(36)32-18-21-5-2-3-6-21/h4,7-9,11,17,19,21H,2-3,5-6,10,12-16,18,20H2,1H3,(H,32,36)(H,37,38)