6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-benzyloxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-phenylmethoxy-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-benzoxy-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CCN3C(=O)O)C=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CCN3C(=O)O)C=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O4/c32-29(33)31-17-14-24-20-26(35-21-22-6-2-1-3-7-22)12-13-27(24)28(31)23-8-10-25(11-9-23)34-19-18-30-15-4-5-16-30/h1-3,6-13,20,28H,4-5,14-19,21H2,(H,32,33)