methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]pent-4-ynoate

Systemtic Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]pent-4-ynoate Openeye Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]pent-4-ynoate CAS Name: 2-[[[1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]pent-4-ynoate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)ethylenimine-2-carbonyl]amino]pent-4-ynoic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-5-6-15(18(22)25-4)19-17(21)16-11-20(16)10-12-7-13(23-2)9-14(8-12)24-3/h1,7-9,15-16H,6,10-11H2,2-4H3,(H,19,21)