4-[5-chloranyl-2-methyl-1-(phenylmethyl)indol-3-yl]pentanoic acid

Systemtic Name: 4-[5-chloranyl-2-methyl-1-(phenylmethyl)indol-3-yl]pentanoic acid Openeye Name: 4-(1-benzyl-5-chloro-2-methyl-indol-3-yl)pentanoic acid CAS Name: 4-[5-chloro-2-methyl-1-(phenylmethyl)-3-indolyl]pentanoic acid IUPAC Name: 4-(1-benzyl-5-chloro-2-methylindol-3-yl)pentanoic acid Traditional Name: 4-(1-benzyl-5-chloro-2-methyl-indol-3-yl)valeric acid Formula: C21H22ClNO2 MolecularWeight: 355.85788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)C(C)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)C(C)CCC(=O)O

InChI

InChI=1S/C21H22ClNO2/c1-14(8-11-20(24)25)21-15(2)23(13-16-6-4-3-5-7-16)19-10-9-17(22)12-18(19)21/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,24,25)