ethyl 4-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]-3-oxidanyl-3-phenyl-butanoate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]-3-oxidanyl-3-phenyl-butanoate Openeye Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-hydroxy-3-phenyl-butanoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]-3-hydroxy-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-hydroxy-3-phenylbutanoate Traditional Name: 4-[benzyl(piperonyl)amino]-3-hydroxy-3-phenyl-butyric acid ethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CN(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3)(C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)CC(CN(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H29NO5/c1-2-31-26(29)16-27(30,23-11-7-4-8-12-23)19-28(17-21-9-5-3-6-10-21)18-22-13-14-24-25(15-22)33-20-32-24/h3-15,30H,2,16-20H2,1H3