methyl 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[(2-acetamidoethylamino)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCCNC(=O)C)C(=O)OC)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCCNC(=O)C)C(=O)OC)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H27N3O5/c1-17(20-9-8-19-6-4-5-7-21(19)15-20)14-25(32)30-24-16-22(10-11-23(24)27(34)35-3)26(33)29-13-12-28-18(2)31/h4-11,14-16H,12-13H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)/b17-14-