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

Systemtic Name: 3-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]propanoic acid Openeye Name: 3-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)propanoic acid CAS Name: 3-[5-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]propanoic acid IUPAC Name: 3-(1-benzhydryl-5-chloro-2-methylindol-3-yl)propanoic acid Traditional Name: 3-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)propionic acid Formula: C25H22ClNO2 MolecularWeight: 403.90068

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO2/c1-17-21(13-15-24(28)29)22-16-20(26)12-14-23(22)27(17)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,14,16,25H,13,15H2,1H3,(H,28,29)