(2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate

Systemtic Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-[2-(1-cyclohexenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-keto-butyrate Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]C(CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H29N3O3/c28-23(17-22(24(29)30)25-16-15-18-7-3-1-4-8-18)27-21-13-11-20(12-14-21)26-19-9-5-2-6-10-19/h2,5-7,9-14,22,25-26H,1,3-4,8,15-17H2,(H,27,28)(H,29,30)/t22-/m1/s1