3,4-dihydro-2H-chromen-4-yl 3-(phenylmethyl)-4-[2-(quinolin-2-ylmethoxy)piperidin-1-yl]butanoate

Systemtic Name: 3,4-dihydro-2H-chromen-4-yl 3-(phenylmethyl)-4-[2-(quinolin-2-ylmethoxy)piperidin-1-yl]butanoate Openeye Name: chroman-4-yl 3-benzyl-4-[2-(2-quinolylmethoxy)-1-piperidyl]butanoate CAS Name: 3-(phenylmethyl)-4-[2-(2-quinolinylmethoxy)-1-piperidinyl]butanoic acid 3,4-dihydro-2H-1-benzopyran-4-yl ester IUPAC Name: 3,4-dihydro-2H-chromen-4-yl 3-benzyl-4-[2-(quinolin-2-ylmethoxy)piperidin-1-yl]butanoate Traditional Name: 3-benzyl-4-[2-(2-quinolylmethoxy)piperidino]butyric acid chroman-4-yl ester Formula: C35H38N2O4 MolecularWeight: 550.68722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)OCC2=NC3=CC=CC=C3C=C2)CC(CC4=CC=CC=C4)CC(=O)OC5CCOC6=CC=CC=C56

Isomeric SMILES

C1CCN(C(C1)OCC2=NC3=CC=CC=C3C=C2)CC(CC4=CC=CC=C4)CC(=O)OC5CCOC6=CC=CC=C56

InChI

InChI=1S/C35H38N2O4/c38-35(41-33-19-21-39-32-15-7-5-13-30(32)33)23-27(22-26-10-2-1-3-11-26)24-37-20-9-8-16-34(37)40-25-29-18-17-28-12-4-6-14-31(28)36-29/h1-7,10-15,17-18,27,33-34H,8-9,16,19-25H2