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

Systemtic Name: 1-(3-ethoxyphenyl)carbonyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carbaldehyde Openeye Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carbaldehyde CAS Name: 1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-6-[3-(1-pyrrolidinyl)propoxy]-4-isoquinolinecarboxaldehyde IUPAC Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)isoquinoline-4-carbaldehyde Traditional Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(3-pyrrolidinopropoxy)isoquinoline-4-carbaldehyde Formula: C27H30N2O5 MolecularWeight: 462.5375

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5/c1-3-33-21-9-6-8-19(14-21)27(31)26-23-16-24(32-2)25(15-22(23)20(18-30)17-28-26)34-13-7-12-29-10-4-5-11-29/h6,8-9,14-18H,3-5,7,10-13H2,1-2H3