3-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]piperidine-1-carboxylic acid CAS Name: 3-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]piperidine-1-carboxylic acid Formula: C33H40N2O5 MolecularWeight: 544.6811

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)COC3CN(CCC3C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)COC3CN(CCC3C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H40N2O5/c1-34-16-14-28-20-26(8-9-29(28)21-34)24-40-32-22-35(33(36)37)17-15-31(32)27-10-12-30(13-11-27)39-19-5-18-38-23-25-6-3-2-4-7-25/h2-4,6-13,20,31-32H,5,14-19,21-24H2,1H3,(H,36,37)