O1-tert-butyl O4-ethyl 4-[(2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[(2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[(2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[(2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[(2-carbobenzoxy-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C31H40N2O7 MolecularWeight: 552.6585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)COC2=CC3=C(CCN(C3)C(=O)OCC4=CC=CC=C4)C=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)COC2=CC3=C(CCN(C3)C(=O)OCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C31H40N2O7/c1-5-37-27(34)31(14-17-32(18-15-31)29(36)40-30(2,3)4)22-39-26-12-11-24-13-16-33(20-25(24)19-26)28(35)38-21-23-9-7-6-8-10-23/h6-12,19H,5,13-18,20-22H2,1-4H3