methyl 4-[2-[2-[2,3-dihydro-1H-inden-2-yl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]benzoate

Systemtic Name: methyl 4-[2-[2-[2,3-dihydro-1H-inden-2-yl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]benzoate Openeye Name: methyl 4-[2-[2-[(2-fluorophenyl)methyl-indan-2-yl-amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]benzoate CAS Name: 4-[2-[2-[2,3-dihydro-1H-inden-2-yl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-[2,3-dihydro-1H-inden-2-yl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]benzoate Traditional Name: 4-[2-[2-[(2-fluorobenzyl)-indan-2-yl-amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]benzoic acid methyl ester Formula: C35H33FN2O3 MolecularWeight: 548.646523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=CC=CC=C3CCN2CC(=O)N(CC4=CC=CC=C4F)C5CC6=CC=CC=C6C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=CC=CC=C3CCN2CC(=O)N(CC4=CC=CC=C4F)C5CC6=CC=CC=C6C5

InChI

InChI=1S/C35H33FN2O3/c1-41-35(40)26-16-14-25(15-17-26)34-31-12-6-4-8-24(31)18-19-37(34)23-33(39)38(22-29-11-5-7-13-32(29)36)30-20-27-9-2-3-10-28(27)21-30/h2-17,30,34H,18-23H2,1H3