4-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]-2-methoxy-phenol; ethanedioic acid

Systemtic Name: 4-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]-2-methoxy-phenol; ethanedioic acid Openeye Name: 4-[1-(2-chroman-4-ylethyl)-4-piperidyl]-2-methoxy-phenol; oxalic acid CAS Name: 4-[1-[2-(3,4-dihydro-2H-1-benzopyran-4-yl)ethyl]-4-piperidinyl]-2-methoxyphenol; oxalic acid IUPAC Name: 4-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]-2-methoxyphenol; oxalic acid Traditional Name: 4-[1-(2-chroman-4-ylethyl)-4-piperidyl]-2-methoxy-phenol; oxalic acid Formula: C25H31NO7 MolecularWeight: 457.51614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CCN(CC2)CCC3CCOC4=CC=CC=C34)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CCN(CC2)CCC3CCOC4=CC=CC=C34)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO3.C2H2O4/c1-26-23-16-19(6-7-21(23)25)17-8-12-24(13-9-17)14-10-18-11-15-27-22-5-3-2-4-20(18)22;3-1(4)2(5)6/h2-7,16-18,25H,8-15H2,1H3;(H,3,4)(H,5,6)