sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-2-(4-methoxyphenyl)-5-phenyl-pentan-3-one; methanal

Systemtic Name: sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-2-(4-methoxyphenyl)-5-phenyl-pentan-3-one; methanal Openeye Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2-(4-methoxyphenyl)-5-phenyl-pentan-3-one; formaldehyde CAS Name: sodium; 2-aziridinecarboxylic acid; 1,4-diamino-2-(4-methoxyphenyl)-5-phenyl-3-pentanone; formaldehyde IUPAC Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2-(4-methoxyphenyl)-5-phenylpentan-3-one; formaldehyde Traditional Name: sodium; 1,4-diamino-2-(4-methoxyphenyl)-5-phenyl-pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C22H29N3NaO5+ MolecularWeight: 438.47253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN)C(=O)C(CC2=CC=CC=C2)N.C=O.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(CN)C(=O)C(CC2=CC=CC=C2)N.C=O.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C18H22N2O2.C3H5NO2.CH2O.Na/c1-22-15-9-7-14(8-10-15)16(12-19)18(21)17(20)11-13-5-3-2-4-6-13;5-3(6)2-1-4-2;1-2;/h2-10,16-17H,11-12,19-20H2,1H3;2,4H,1H2,(H,5,6);1H2;/q;;;+1