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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(piperidin-4-ylmethylcarbamoyl)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(4-piperidylmethylcarbamoyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo-(4-piperidinylmethylamino)methyl]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(piperidin-4-ylmethylcarbamoyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(4-piperidylmethylcarbamoyl)benzoic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2CCNCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCC2CCNCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H29N3O4/c1-18(21-7-6-20-4-2-3-5-22(20)15-21)14-26(32)31-25-16-23(8-9-24(25)28(34)35)27(33)30-17-19-10-12-29-13-11-19/h2-9,14-16,19,29H,10-13,17H2,1H3,(H,30,33)(H,31,32)(H,34,35)/b18-14-