2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 2-[(3-amino-3-oxo-propyl)-benzyl-carbamoyl]benzoic acid CAS Name: 2-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoic acid Traditional Name: 2-[(3-amino-3-keto-propyl)-benzyl-carbamoyl]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O4/c19-16(21)10-11-20(12-13-6-2-1-3-7-13)17(22)14-8-4-5-9-15(14)18(23)24/h1-9H,10-12H2,(H2,19,21)(H,23,24)