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

Systemtic Name: methyl 4-(2-dimethylaminoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-(2-dimethylaminoethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[(2-dimethylaminoethylamino)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-dimethylaminoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-(2-dimethylaminoethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-18(20-10-9-19-7-5-6-8-21(19)16-20)15-25(31)29-24-17-22(11-12-23(24)27(33)34-4)26(32)28-13-14-30(2)3/h5-12,15-17H,13-14H2,1-4H3,(H,28,32)(H,29,31)/b18-15-