(2R)-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

COCCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H25N3O4/c1-27-13-5-12-21-18(20(25)26)14-19(24)23-17-10-8-16(9-11-17)22-15-6-3-2-4-7-15/h2-4,6-11,18,21-22H,5,12-14H2,1H3,(H,23,24)(H,25,26)/t18-/m1/s1