ethyl 1-methyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 1-methyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(1-naphthylmethylamino)-2-oxo-ethyl]carbamoyl]-1-methyl-aziridine-2-carboxylate CAS Name: 1-methyl-3-[[[1-(1-naphthalenylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-(1-naphthylmethylamino)ethyl]carbamoyl]-1-methyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1C(N1C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H29N3O4/c1-3-34-27(33)24-23(30(24)2)26(32)29-22(16-18-10-5-4-6-11-18)25(31)28-17-20-14-9-13-19-12-7-8-15-21(19)20/h4-15,22-24H,3,16-17H2,1-2H3,(H,28,31)(H,29,32)