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

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

InChI

InChI=1S/C28H29N3O4/c1-19(21-9-8-20-6-4-5-7-22(20)17-21)16-26(32)29-25-18-23(10-11-24(25)28(34)35-3)27(33)31-14-12-30(2)13-15-31/h4-11,16-18H,12-15H2,1-3H3,(H,29,32)/b19-16-