[2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanoylamino] 4-chloranylbenzoate

Systemtic Name: [2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanoylamino] 4-chloranylbenzoate Openeye Name: [[2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetyl]amino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [[2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-oxoethyl]amino] ester IUPAC Name: [[2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetyl]amino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [[2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetyl]amino] ester Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC=CC=C2C1)C3=CC(=CC=C3)CC(=O)NOC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CC(C2=CC=CC=C2C1)C3=CC(=CC=C3)CC(=O)NOC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O3/c1-28-15-20-6-2-3-8-22(20)23(16-28)19-7-4-5-17(13-19)14-24(29)27-31-25(30)18-9-11-21(26)12-10-18/h2-13,23H,14-16H2,1H3,(H,27,29)