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

Systemtic Name: 4-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-[(1-methyl-4-piperidyl)methylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[[(1-methyl-4-piperidinyl)methylamino]-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[(1-methyl-4-piperidyl)methylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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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)O)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)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H31N3O4/c1-19(22-8-7-21-5-3-4-6-23(21)16-22)15-27(33)31-26-17-24(9-10-25(26)29(35)36)28(34)30-18-20-11-13-32(2)14-12-20/h3-10,15-17,20H,11-14,18H2,1-2H3,(H,30,34)(H,31,33)(H,35,36)/b19-15-