quinolin-8-ylmethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: quinolin-8-ylmethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: 8-quinolylmethyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid 8-quinolylmethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-15(2)25-22(27)24-13-16-8-10-18(11-9-16)21(26)28-14-19-6-3-5-17-7-4-12-23-20(17)19/h3-12,15H,13-14H2,1-2H3,(H2,24,25,27)