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

Systemtic Name: ethyl 3-[[1-(3-methylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[2-(isopentylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(3-methylbutylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(3-methylbutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[2-(isoamylamino)-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C24H31N3O4/c1-4-31-24(30)21-20(27-21)23(29)26-19(22(28)25-12-11-15(2)3)14-16-9-10-17-7-5-6-8-18(17)13-16/h5-10,13,15,19-21,27H,4,11-12,14H2,1-3H3,(H,25,28)(H,26,29)