3-[[2-azanylethyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]benzoic acid

Systemtic Name: 3-[[2-azanylethyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]benzoic acid Openeye Name: 3-[[2-aminoethyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]benzoic acid CAS Name: 3-[[2-aminoethyl-[(3,4-dichloroanilino)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[2-aminoethyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]benzoic acid Traditional Name: 3-[[2-aminoethyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]benzoic acid Formula: C17H17Cl2N3O3 MolecularWeight: 382.24118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CCN)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN(CCN)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H17Cl2N3O3/c18-14-5-4-13(9-15(14)19)21-17(25)22(7-6-20)10-11-2-1-3-12(8-11)16(23)24/h1-5,8-9H,6-7,10,20H2,(H,21,25)(H,23,24)