7-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-benzhydryloxy-1-piperidyl)propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 7-[3-(4-benzhydryloxypiperidino)propoxy]-4-keto-chromene-2-carboxylic acid Formula: C31H31NO6 MolecularWeight: 513.58094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C(=O)O

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C(=O)O

InChI

InChI=1S/C31H31NO6/c33-27-21-29(31(34)35)38-28-20-25(12-13-26(27)28)36-19-7-16-32-17-14-24(15-18-32)37-30(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20-21,24,30H,7,14-19H2,(H,34,35)