2-[2-(2-cyclohexyl-2-phenyl-ethanoyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(2-cyclohexyl-2-phenyl-ethanoyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid Openeye Name: 2-[2-(2-cyclohexyl-2-phenyl-acetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid CAS Name: 2-[2-(2-cyclohexyl-1-oxo-2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid IUPAC Name: 2-[2-(2-cyclohexyl-2-phenylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid Traditional Name: 2-[2-(2-cyclohexyl-2-phenyl-acetyl)-3,4-dihydro-1H-pyrid[4,3-b]indol-5-yl]acetic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)N3CCC4=C(C3)C5=CC=CC=C5N4CC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)N3CCC4=C(C3)C5=CC=CC=C5N4CC(=O)O

InChI

InChI=1S/C27H30N2O3/c30-25(31)18-29-23-14-8-7-13-21(23)22-17-28(16-15-24(22)29)27(32)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20,26H,2,5-6,11-12,15-18H2,(H,30,31)