methyl 4-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methyl-piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methyl-piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate Openeye Name: methyl 4-[(1S)-2-[(2R)-4-(1-isoquinolyl)-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[(2S)-1-[(2R)-4-(1-isoquinolinyl)-2-methyl-1-piperazinyl]-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxybenzoate Traditional Name: 4-[(1S)-2-[(2R)-4-(1-isoquinolyl)-2-methyl-piperazino]-2-keto-1-methyl-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)OC)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)OC)OC)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O5/c1-17-16-28(24-21-8-6-5-7-19(21)11-12-27-24)13-14-29(17)25(30)18(2)34-22-10-9-20(26(31)33-4)15-23(22)32-3/h5-12,15,17-18H,13-14,16H2,1-4H3/t17-,18+/m1/s1