1-(3-ethoxyphenyl)carbonyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carboxylic acid

Systemtic Name: 1-(3-ethoxyphenyl)carbonyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carboxylic acid Openeye Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-6-[3-(1-pyrrolidinyl)propoxy]-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carboxylic acid Traditional Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(3-pyrrolidinopropoxy)isoquinoline-4-carboxylic acid Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCN4CCCC4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCN4CCCC4)C(=O)O

InChI

InChI=1S/C27H30N2O6/c1-3-34-19-9-6-8-18(14-19)26(30)25-21-16-23(33-2)24(15-20(21)22(17-28-25)27(31)32)35-13-7-12-29-10-4-5-11-29/h6,8-9,14-17H,3-5,7,10-13H2,1-2H3,(H,31,32)