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

Systemtic Name: ethyl 3-[3-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-(methylaminomethyl)naphthalen-2-yl]carbonylaziridine-2-carboxylate Openeye Name: ethyl 3-[3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-(methylaminomethyl)naphthalene-2-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[3-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-4-(methylaminomethyl)-2-naphthalenyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-(methylaminomethyl)naphthalene-2-carbonyl]aziridine-2-carboxylate Traditional Name: 3-[4-(methylaminomethyl)-3-tyrosyl-2-naphthoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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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=C(C=C4)O)N)CNC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c1-3-35-27(34)24-23(30-24)25(32)19-13-16-6-4-5-7-18(16)20(14-29-2)22(19)26(33)21(28)12-15-8-10-17(31)11-9-15/h4-11,13,21,23-24,29-31H,3,12,14,28H2,1-2H3