[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H27N3O4/c1-16(2)25-23(29)24-13-17-7-9-19(10-8-17)22(28)30-15-21(27)26-12-11-18-5-3-4-6-20(18)14-26/h3-10,16H,11-15H2,1-2H3,(H2,24,25,29)