2-[[2-[[4-(aminomethyl)phenyl]amino]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[[4-(aminomethyl)phenyl]amino]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[4-(aminomethyl)anilino]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[4-(aminomethyl)anilino]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[4-(aminomethyl)anilino]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[4-(aminomethyl)anilino]phenyl]carbamoyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC3=CC=C(C=C3)CN)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC3=CC=C(C=C3)CN)C(=O)O

InChI

InChI=1S/C21H19N3O3/c22-13-14-9-11-15(12-10-14)23-18-7-3-4-8-19(18)24-20(25)16-5-1-2-6-17(16)21(26)27/h1-12,23H,13,22H2,(H,24,25)(H,26,27)