[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]methyl pyridine-3-carboxylate

Systemtic Name: [[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]methyl pyridine-3-carboxylate Openeye Name: [[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[4-[(2-aminoanilino)-oxomethyl]phenyl]methylamino]methyl ester IUPAC Name: [[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [[4-[(2-aminophenyl)carbamoyl]benzyl]amino]methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)