4-[2-(2-azanylethyl)-5-chloranyl-1-(diphenylmethyl)indol-3-yl]-2-ethoxy-benzoic acid

Systemtic Name: 4-[2-(2-azanylethyl)-5-chloranyl-1-(diphenylmethyl)indol-3-yl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-(2-aminoethyl)-1-benzhydryl-5-chloro-indol-3-yl]-2-ethoxy-benzoic acid CAS Name: 4-[2-(2-aminoethyl)-5-chloro-1-(diphenylmethyl)-3-indolyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]-2-ethoxybenzoic acid Traditional Name: 4-[2-(2-aminoethyl)-1-benzhydryl-5-chloro-indol-3-yl]-2-ethoxy-benzoic acid Formula: C32H29ClN2O3 MolecularWeight: 525.03726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(N(C3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5)CCN)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(N(C3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5)CCN)C(=O)O

InChI

InChI=1S/C32H29ClN2O3/c1-2-38-29-19-23(13-15-25(29)32(36)37)30-26-20-24(33)14-16-27(26)35(28(30)17-18-34)31(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19-20,31H,2,17-18,34H2,1H3,(H,36,37)