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

Systemtic Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)ethylenimine-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-27-17-9-16(10-18(12-17)28-2)13-24-14-20(24)21(25)23-19(22(26)29-3)11-15-7-5-4-6-8-15/h4-10,12,19-20H,11,13-14H2,1-3H3,(H,23,25)