2-[6-chloranyl-9-(4-imidazol-1-ylphenyl)-2-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-9-(4-imidazol-1-ylphenyl)-2-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-9-(4-imidazol-1-ylphenyl)-2-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid CAS Name: 2-[6-chloro-9-[4-(1-imidazolyl)phenyl]-2-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid IUPAC Name: 2-[6-chloro-9-(4-imidazol-1-ylphenyl)-2-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid Traditional Name: 2-[6-chloro-9-(4-imidazol-1-ylphenyl)-2-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid Formula: C24H22ClN3O2 MolecularWeight: 419.90338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1CC(=O)O)N(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC1CCC2=C(C1CC(=O)O)N(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C24H22ClN3O2/c1-15-2-8-19-21-12-16(25)3-9-22(21)28(24(19)20(15)13-23(29)30)18-6-4-17(5-7-18)27-11-10-26-14-27/h3-7,9-12,14-15,20H,2,8,13H2,1H3,(H,29,30)