2-phenyl-3-(4-phenylpiperidin-1-yl)-2-pyrrol-1-yl-hex-4-ynoic acid

Systemtic Name: 2-phenyl-3-(4-phenylpiperidin-1-yl)-2-pyrrol-1-yl-hex-4-ynoic acid Openeye Name: 2-phenyl-3-(4-phenyl-1-piperidyl)-2-pyrrol-1-yl-hex-4-ynoic acid CAS Name: 2-phenyl-3-(4-phenyl-1-piperidinyl)-2-(1-pyrrolyl)-4-hexynoic acid IUPAC Name: 2-phenyl-3-(4-phenylpiperidin-1-yl)-2-pyrrol-1-ylhex-4-ynoic acid Traditional Name: 2-phenyl-3-(4-phenylpiperidino)-2-pyrrol-1-yl-hex-4-ynoic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C(C1=CC=CC=C1)(C(=O)O)N2C=CC=C2)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC#CC(C(C1=CC=CC=C1)(C(=O)O)N2C=CC=C2)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-2-11-25(28-20-16-23(17-21-28)22-12-5-3-6-13-22)27(26(30)31,29-18-9-10-19-29)24-14-7-4-8-15-24/h3-10,12-15,18-19,23,25H,16-17,20-21H2,1H3,(H,30,31)