2-pyridin-3-ylethyl 3-aminocarbonyl-2-(aminomethyl)benzoate

Systemtic Name: 2-pyridin-3-ylethyl 3-aminocarbonyl-2-(aminomethyl)benzoate Openeye Name: 2-(3-pyridyl)ethyl 2-(aminomethyl)-3-carbamoyl-benzoate CAS Name: 2-(aminomethyl)-3-carbamoylbenzoic acid 2-(3-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-3-ylethyl 2-(aminomethyl)-3-carbamoylbenzoate Traditional Name: 2-(aminomethyl)-3-carbamoyl-benzoic acid 2-(3-pyridyl)ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)OCCC2=CN=CC=C2)CN)C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)OCCC2=CN=CC=C2)CN)C(=O)N

InChI

InChI=1S/C16H17N3O3/c17-9-14-12(15(18)20)4-1-5-13(14)16(21)22-8-6-11-3-2-7-19-10-11/h1-5,7,10H,6,8-9,17H2,(H2,18,20)