3-[(6-carboxycyclohex-3-en-1-yl)carbonylamino]-4-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-[(6-carboxycyclohex-3-en-1-yl)carbonylamino]-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-3-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid CAS Name: 3-[[(6-carboxy-1-cyclohex-3-enyl)-oxomethyl]amino]-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-3-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid Traditional Name: 4-(benzylamino)-3-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(=O)O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(=O)O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22N2O5/c25-20(16-8-4-5-9-17(16)22(28)29)24-19-12-15(21(26)27)10-11-18(19)23-13-14-6-2-1-3-7-14/h1-7,10-12,16-17,23H,8-9,13H2,(H,24,25)(H,26,27)(H,28,29)