4-[[3-(aminomethyl)phenyl]methylcarbamoyl]benzoic acid

Systemtic Name: 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]benzoic acid Openeye Name: 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]benzoic acid CAS Name: 4-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-(aminomethyl)phenyl]methylcarbamoyl]benzoic acid Traditional Name: 4-[[3-(aminomethyl)benzyl]carbamoyl]benzoic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c17-9-11-2-1-3-12(8-11)10-18-15(19)13-4-6-14(7-5-13)16(20)21/h1-8H,9-10,17H2,(H,18,19)(H,20,21)