(2R)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC3=CC=CO3

InChI

InChI=1S/C21H21N3O4/c25-20(13-19(21(26)27)22-14-18-7-4-12-28-18)24-17-10-8-16(9-11-17)23-15-5-2-1-3-6-15/h1-12,19,22-23H,13-14H2,(H,24,25)(H,26,27)/t19-/m1/s1