methyl 2-[[4-(2-aminocarbonylphenyl)phenyl]methylamino]-3-azanyl-benzoate

Systemtic Name: methyl 2-[[4-(2-aminocarbonylphenyl)phenyl]methylamino]-3-azanyl-benzoate Openeye Name: methyl 3-amino-2-[[4-(2-carbamoylphenyl)phenyl]methylamino]benzoate CAS Name: 3-amino-2-[[4-(2-carbamoylphenyl)phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[4-(2-carbamoylphenyl)phenyl]methylamino]benzoate Traditional Name: 3-amino-2-[[4-(2-carbamoylphenyl)benzyl]amino]benzoic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)N

InChI

InChI=1S/C22H21N3O3/c1-28-22(27)18-7-4-8-19(23)20(18)25-13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21(24)26/h2-12,25H,13,23H2,1H3,(H2,24,26)