methyl 4-[4-[(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)CN3CCC4=C(C3)C=CC=C4Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)CN3CCC4=C(C3)C=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O3/c1-14-20(13-25-11-10-18-17(12-25)4-3-5-19(18)23)24-21(28-14)15-6-8-16(9-7-15)22(26)27-2/h3-9H,10-13H2,1-2H3