5-chloranyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid Openeye Name: 5-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid CAS Name: 5-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-3-indolecarboxylic acid IUPAC Name: 5-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid Traditional Name: 5-chloro-2-[4-(2-cyanophenyl)benzyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid Formula: C27H21ClN2O2 MolecularWeight: 440.92084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=C(C=C3)Cl)C(=C2CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

C1CC1CN2C3=C(C=C(C=C3)Cl)C(=C2CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C27H21ClN2O2/c28-21-11-12-24-23(14-21)26(27(31)32)25(30(24)16-18-5-6-18)13-17-7-9-19(10-8-17)22-4-2-1-3-20(22)15-29/h1-4,7-12,14,18H,5-6,13,16H2,(H,31,32)