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

Systemtic Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-[3-(methylamino)-3-oxidanylidene-propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-[3-(methylamino)-3-oxo-propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(cyclopentylmethylamino)-oxomethyl]-3-[3-(methylamino)-3-oxopropyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-[3-(methylamino)-3-oxopropyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-[3-keto-3-(methylamino)propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1=CN(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CNC(=O)CCC1=CN(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C28H33N3O5/c1-29-26(32)12-10-21-16-31(17-22-8-7-20(28(34)35)14-25(22)36-2)24-13-19(9-11-23(21)24)27(33)30-15-18-5-3-4-6-18/h7-9,11,13-14,16,18H,3-6,10,12,15,17H2,1-2H3,(H,29,32)(H,30,33)(H,34,35)