(2R)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-(3-propan-2-yloxypropylazaniumyl)butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-2-(3-isopropoxypropylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-2-(3-isopropoxypropylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-16(2)28-14-6-13-23-20(22(26)27)15-21(25)24-17-9-11-19(12-10-17)29-18-7-4-3-5-8-18/h3-5,7-12,16,20,23H,6,13-15H2,1-2H3,(H,24,25)(H,26,27)/t20-/m1/s1