3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-prop-2-enyl-aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-prop-2-enyl-aziridine-2-carboxylic acid Openeye Name: 1-allyl-3-[[1-benzyl-2-(1-naphthylmethylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(1-naphthalenylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-prop-2-enyl-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(naphthalen-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1-prop-2-enylaziridine-2-carboxylic acid Traditional Name: 1-allyl-3-[[1-benzyl-2-keto-2-(1-naphthylmethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C=CCN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O4/c1-2-15-30-23(24(30)27(33)34)26(32)29-22(16-18-9-4-3-5-10-18)25(31)28-17-20-13-8-12-19-11-6-7-14-21(19)20/h2-14,22-24H,1,15-17H2,(H,28,31)(H,29,32)(H,33,34)