2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-piperidin-1-ylcarbonyl-benzoic acid

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-piperidin-1-ylcarbonyl-benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(piperidine-1-carbonyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo(1-piperidinyl)methyl]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(piperidine-1-carbonyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(piperidine-1-carbonyl)benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H26N2O4/c1-18(20-10-9-19-7-3-4-8-21(19)16-20)15-25(30)28-24-17-22(11-12-23(24)27(32)33)26(31)29-13-5-2-6-14-29/h3-4,7-12,15-17H,2,5-6,13-14H2,1H3,(H,28,30)(H,32,33)/b18-15-