4-(4-methylpiperazin-1-yl)carbonyl-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)carbonyl-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(4-methylpiperazine-1-carbonyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(4-methylpiperazine-1-carbonyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(4-methylpiperazine-1-carbonyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]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)N2CCN(CC2)C)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

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