3-[[2-cyano-3-(2-methyl-4-piperidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2-methyl-4-piperidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2-methyl-4-(1-piperidyl)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2-methyl-4-(1-piperidinyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2-methyl-4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2-methyl-4-piperidino-phenyl)acryloyl]amino]benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H23N3O3/c1-16-12-21(26-10-3-2-4-11-26)9-8-17(16)13-19(15-24)22(27)25-20-7-5-6-18(14-20)23(28)29/h5-9,12-14H,2-4,10-11H2,1H3,(H,25,27)(H,28,29)