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

Systemtic Name: 3-[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethoxy]benzoic acid Openeye Name: 3-[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)ethoxy]benzoic acid CAS Name: 3-[2-[5-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]ethoxy]benzoic acid IUPAC Name: 3-[2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethoxy]benzoic acid Traditional Name: 3-[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)ethoxy]benzoic acid Formula: C31H26ClNO3 MolecularWeight: 495.99604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CCOC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CCOC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C31H26ClNO3/c1-21-27(17-18-36-26-14-8-13-24(19-26)31(34)35)28-20-25(32)15-16-29(28)33(21)30(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-16,19-20,30H,17-18H2,1H3,(H,34,35)