methyl 4-[[(4-oxidanylidenechromen-3-yl)methyl-(3-phenylpropyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-oxidanylidenechromen-3-yl)methyl-(3-phenylpropyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-oxochromen-3-yl)methyl-(3-phenylpropyl)amino]methyl]benzoate CAS Name: 4-[[(4-oxo-1-benzopyran-3-yl)methyl-(3-phenylpropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-oxochromen-3-yl)methyl-(3-phenylpropyl)amino]methyl]benzoate Traditional Name: 4-[[(4-ketochromen-3-yl)methyl-(3-phenylpropyl)amino]methyl]benzoic acid methyl ester Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C28H27NO4/c1-32-28(31)23-15-13-22(14-16-23)18-29(17-7-10-21-8-3-2-4-9-21)19-24-20-33-26-12-6-5-11-25(26)27(24)30/h2-6,8-9,11-16,20H,7,10,17-19H2,1H3