[4-[[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]carbamoyl]phenyl] butanoate

Systemtic Name: [4-[[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]carbamoyl]phenyl] butanoate Openeye Name: [4-[[8-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]carbamoyl]phenyl] butanoate CAS Name: butanoic acid [4-[[[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]carbamoyl]phenyl] butanoate Traditional Name: butyric acid [4-[[8-methyl-3-(pyrrolidinomethyl)-7-quinolyl]carbamoyl]phenyl] ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=C(C3=NC=C(C=C3C=C2)CN4CCCC4)C

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=C(C3=NC=C(C=C3C=C2)CN4CCCC4)C

InChI

InChI=1S/C26H29N3O3/c1-3-6-24(30)32-22-10-7-20(8-11-22)26(31)28-23-12-9-21-15-19(16-27-25(21)18(23)2)17-29-13-4-5-14-29/h7-12,15-16H,3-6,13-14,17H2,1-2H3,(H,28,31)