methyl 3-(biphenylen-2-ylcarbonylamino)-2-[(3-ethanimidoylphenyl)methyl]butanoate

Systemtic Name: methyl 3-(biphenylen-2-ylcarbonylamino)-2-[(3-ethanimidoylphenyl)methyl]butanoate Openeye Name: methyl 3-(biphenylene-2-carbonylamino)-2-[(3-ethanimidoylphenyl)methyl]butanoate CAS Name: 3-[[2-biphenylenyl(oxo)methyl]amino]-2-[[3-(1-iminoethyl)phenyl]methyl]butanoic acid methyl ester IUPAC Name: methyl 3-(biphenylene-2-carbonylamino)-2-[(3-ethanimidoylphenyl)methyl]butanoate Traditional Name: 2-(3-acetimidoylbenzyl)-3-(biphenylene-2-carbonylamino)butyric acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)C)C(=O)OC)NC(=O)C2=CC3=C(C=C2)C4=CC=CC=C43

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)C)C(=O)OC)NC(=O)C2=CC3=C(C=C2)C4=CC=CC=C43

InChI

InChI=1S/C27H26N2O3/c1-16(28)19-8-6-7-18(13-19)14-24(27(31)32-3)17(2)29-26(30)20-11-12-23-21-9-4-5-10-22(21)25(23)15-20/h4-13,15,17,24,28H,14H2,1-3H3,(H,29,30)