4-[1-azanyl-4-methyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-4-methyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-3-methyl-2-[2-(1-piperidyl)phenyl]but-2-enyl]benzoic acid CAS Name: 4-[1-amino-4-methyl-1-oxo-3-[2-(1-piperidinyl)phenyl]pent-3-en-2-yl]benzoic acid IUPAC Name: 4-[1-amino-4-methyl-1-oxo-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-3-methyl-2-(2-piperidinophenyl)but-2-enyl]benzoic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N)C

Isomeric SMILES

CC(=C(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N)C

InChI

InChI=1S/C24H28N2O3/c1-16(2)21(19-8-4-5-9-20(19)26-14-6-3-7-15-26)22(23(25)27)17-10-12-18(13-11-17)24(28)29/h4-5,8-13,22H,3,6-7,14-15H2,1-2H3,(H2,25,27)(H,28,29)