ethyl 3-[3-(2-azanyl-3-phenyl-propanoyl)-4-(methylaminomethyl)naphthalen-2-yl]carbonylaziridine-2-carboxylate

Systemtic Name: ethyl 3-[3-(2-azanyl-3-phenyl-propanoyl)-4-(methylaminomethyl)naphthalen-2-yl]carbonylaziridine-2-carboxylate Openeye Name: ethyl 3-[3-(2-amino-3-phenyl-propanoyl)-4-(methylaminomethyl)naphthalene-2-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[3-(2-amino-1-oxo-3-phenylpropyl)-4-(methylaminomethyl)-2-naphthalenyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-amino-3-phenylpropanoyl)-4-(methylaminomethyl)naphthalene-2-carbonyl]aziridine-2-carboxylate Traditional Name: 3-[4-(methylaminomethyl)-3-phenylalanyl-2-naphthoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)C2=CC3=CC=CC=C3C(=C2C(=O)C(CC4=CC=CC=C4)N)CNC

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)C2=CC3=CC=CC=C3C(=C2C(=O)C(CC4=CC=CC=C4)N)CNC

InChI

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