2-(3-methylbutylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: 2-(3-methylbutylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: 2-(isopentylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: 2-(3-methylbutylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: 2-(3-methylbutylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: 2-(isoamylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C(CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC[NH2+]C(CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-15(2)12-13-22-19(21(25)26)14-20(24)23-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,23,24)(H,25,26)