4-chloranylbenzoic acid; 1-[3-(2-methoxyphenoxy)-1-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: 4-chloranylbenzoic acid; 1-[3-(2-methoxyphenoxy)-1-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: 4-chlorobenzoic acid; 1-[1-hydroxy-3-(2-methoxyphenoxy)propyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: 4-chlorobenzoic acid; 1-[1-hydroxy-3-(2-methoxyphenoxy)propyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: 4-chlorobenzoic acid; 1-[1-hydroxy-3-(2-methoxyphenoxy)propyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: 4-chlorobenzoic acid; 1-[1-hydroxy-3-(2-methoxyphenoxy)propyl]-4-(3-pyridyl)piperidin-4-ol Formula: C27H31ClN2O6 MolecularWeight: 514.99784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCC(N2CCC(CC2)(C3=CN=CC=C3)O)O.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

COC1=CC=CC=C1OCCC(N2CCC(CC2)(C3=CN=CC=C3)O)O.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C20H26N2O4.C7H5ClO2/c1-25-17-6-2-3-7-18(17)26-14-8-19(23)22-12-9-20(24,10-13-22)16-5-4-11-21-15-16;8-6-3-1-5(2-4-6)7(9)10/h2-7,11,15,19,23-24H,8-10,12-14H2,1H3;1-4H,(H,9,10)