3-heptan-2-yloxy-4-methoxy-2-[phenyl(quinolin-2-ylmethyl)amino]cyclopent-2-en-1-one

Systemtic Name: 3-heptan-2-yloxy-4-methoxy-2-[phenyl(quinolin-2-ylmethyl)amino]cyclopent-2-en-1-one Openeye Name: 4-methoxy-3-(1-methylhexoxy)-2-[N-(2-quinolylmethyl)anilino]cyclopent-2-en-1-one CAS Name: 3-heptan-2-yloxy-4-methoxy-2-[N-(2-quinolinylmethyl)anilino]-1-cyclopent-2-enone IUPAC Name: 3-heptan-2-yloxy-4-methoxy-2-[N-(quinolin-2-ylmethyl)anilino]cyclopent-2-en-1-one Traditional Name: 4-methoxy-3-(1-methylhexoxy)-2-[N-(2-quinolylmethyl)anilino]cyclopent-2-en-1-one Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC1=C(C(=O)CC1OC)N(CC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C)OC1=C(C(=O)CC1OC)N(CC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O3/c1-4-5-7-12-21(2)34-29-27(33-3)19-26(32)28(29)31(24-14-8-6-9-15-24)20-23-18-17-22-13-10-11-16-25(22)30-23/h6,8-11,13-18,21,27H,4-5,7,12,19-20H2,1-3H3