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

Systemtic Name: 3-pyridin-3-ylpropyl 3-aminocarbonyl-2-(aminomethyl)benzoate Openeye Name: 3-(3-pyridyl)propyl 2-(aminomethyl)-3-carbamoyl-benzoate CAS Name: 2-(aminomethyl)-3-carbamoylbenzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(aminomethyl)-3-carbamoylbenzoate Traditional Name: 2-(aminomethyl)-3-carbamoyl-benzoic acid 3-(3-pyridyl)propyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)OCCCC2=CN=CC=C2)CN)C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)OCCCC2=CN=CC=C2)CN)C(=O)N

InChI

InChI=1S/C17H19N3O3/c18-10-15-13(16(19)21)6-1-7-14(15)17(22)23-9-3-5-12-4-2-8-20-11-12/h1-2,4,6-8,11H,3,5,9-10,18H2,(H2,19,21)