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

Systemtic Name: methyl 4-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-[(1-methyl-4-piperidyl)methylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(1-methyl-4-piperidinyl)methylamino]-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-[(1-methyl-4-piperidyl)methylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2CCN(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)NCC2CCN(CC2)C)C(=O)OC)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H33N3O4/c1-20(23-9-8-22-6-4-5-7-24(22)17-23)16-28(34)32-27-18-25(10-11-26(27)30(36)37-3)29(35)31-19-21-12-14-33(2)15-13-21/h4-11,16-18,21H,12-15,19H2,1-3H3,(H,31,35)(H,32,34)/b20-16-