4-[5-chloranyl-1-[[4-(3-pyrrolidin-1-ylphenyl)phenyl]methyl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[[4-(3-pyrrolidin-1-ylphenyl)phenyl]methyl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[[4-(3-pyrrolidin-1-ylphenyl)phenyl]methyl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[[4-[3-(1-pyrrolidinyl)phenyl]phenyl]methyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[[4-(3-pyrrolidin-1-ylphenyl)phenyl]methyl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-[4-(3-pyrrolidinophenyl)benzyl]indol-3-yl]-4-keto-butyric acid Formula: C29H27ClN2O3 MolecularWeight: 486.98928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)CN4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)CN4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C29H27ClN2O3/c30-23-10-11-27-25(17-23)26(28(33)12-13-29(34)35)19-32(27)18-20-6-8-21(9-7-20)22-4-3-5-24(16-22)31-14-1-2-15-31/h3-11,16-17,19H,1-2,12-15,18H2,(H,34,35)