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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(piperidin-1-ylcarbamoyl)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(1-piperidylcarbamoyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo-(1-piperidinylamino)methyl]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(piperidin-1-ylcarbamoyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(piperidinocarbamoyl)benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NN2CCCCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NN2CCCCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H27N3O4/c1-18(20-10-9-19-7-3-4-8-21(19)16-20)15-25(31)28-24-17-22(11-12-23(24)27(33)34)26(32)29-30-13-5-2-6-14-30/h3-4,7-12,15-17H,2,5-6,13-14H2,1H3,(H,28,31)(H,29,32)(H,33,34)/b18-15-