3-cyanopropyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: 3-cyanopropyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: 3-cyanopropyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid 3-cyanopropyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCCCC#N

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCCCC#N

InChI

InChI=1S/C16H21N3O3/c1-12(2)19-16(21)18-11-13-5-7-14(8-6-13)15(20)22-10-4-3-9-17/h5-8,12H,3-4,10-11H2,1-2H3,(H2,18,19,21)