methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)ethylenimine-2-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC2C(=O)NC(C3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC2C(=O)NC(C3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C21H24N2O5/c1-26-16-9-14(10-17(11-16)27-2)12-23-13-18(23)20(24)22-19(21(25)28-3)15-7-5-4-6-8-15/h4-11,18-19H,12-13H2,1-3H3,(H,22,24)