ethyl 3-[4-methyl-7-oxidanyl-2-oxidanylidene-8-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[4-methyl-7-oxidanyl-2-oxidanylidene-8-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]chromen-3-yl]propanoate Openeye Name: ethyl 3-[8-[[(1-benzyl-4-piperidyl)amino]methyl]-7-hydroxy-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[7-hydroxy-4-methyl-2-oxo-8-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[8-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-hydroxy-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[8-[[(1-benzyl-4-piperidyl)amino]methyl]-7-hydroxy-2-keto-4-methyl-chromen-3-yl]propionic acid ethyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNC3CCN(CC3)CC4=CC=CC=C4)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNC3CCN(CC3)CC4=CC=CC=C4)OC1=O)C

InChI

InChI=1S/C28H34N2O5/c1-3-34-26(32)12-10-23-19(2)22-9-11-25(31)24(27(22)35-28(23)33)17-29-21-13-15-30(16-14-21)18-20-7-5-4-6-8-20/h4-9,11,21,29,31H,3,10,12-18H2,1-2H3