3-[[3-(hydroxymethyl)phenyl]-propyl-amino]-6-phenethyl-6-phenyl-oxane-2,4-dione

Systemtic Name: 3-[[3-(hydroxymethyl)phenyl]-propyl-amino]-6-phenethyl-6-phenyl-oxane-2,4-dione Openeye Name: 3-[3-(hydroxymethyl)-N-propyl-anilino]-6-phenethyl-6-phenyl-tetrahydropyran-2,4-dione CAS Name: 3-[3-(hydroxymethyl)-N-propylanilino]-6-phenethyl-6-phenyloxane-2,4-dione IUPAC Name: 3-[3-(hydroxymethyl)-N-propylanilino]-6-phenethyl-6-phenyloxane-2,4-dione Traditional Name: 3-(3-methylol-N-propyl-anilino)-6-phenethyl-6-phenyl-tetrahydropyran-2,4-quinone Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(=O)CC(OC1=O)(CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)CO

Isomeric SMILES

CCCN(C1C(=O)CC(OC1=O)(CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)CO

InChI

InChI=1S/C29H31NO4/c1-2-18-30(25-15-9-12-23(19-25)21-31)27-26(32)20-29(34-28(27)33,24-13-7-4-8-14-24)17-16-22-10-5-3-6-11-22/h3-15,19,27,31H,2,16-18,20-21H2,1H3