3-[2-(aminocarbonylamino)-1-phenyl-ethyl]-2-(aminomethyl)-4-phenyl-benzoic acid

Systemtic Name: 3-[2-(aminocarbonylamino)-1-phenyl-ethyl]-2-(aminomethyl)-4-phenyl-benzoic acid Openeye Name: 2-(aminomethyl)-4-phenyl-3-(1-phenyl-2-ureido-ethyl)benzoic acid CAS Name: 2-(aminomethyl)-3-[2-(carbamoylamino)-1-phenylethyl]-4-phenylbenzoic acid IUPAC Name: 2-(aminomethyl)-3-[2-(carbamoylamino)-1-phenylethyl]-4-phenylbenzoic acid Traditional Name: 2-(aminomethyl)-4-phenyl-3-(1-phenyl-2-ureido-ethyl)benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)CN)C(CNC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)CN)C(CNC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c24-13-19-18(22(27)28)12-11-17(15-7-3-1-4-8-15)21(19)20(14-26-23(25)29)16-9-5-2-6-10-16/h1-12,20H,13-14,24H2,(H,27,28)(H3,25,26,29)