tert-butyl 3-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]propanoate

Systemtic Name: tert-butyl 3-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]propanoate Openeye Name: tert-butyl 3-[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indol-3-yl]propanoate CAS Name: 3-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoate Traditional Name: 3-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indol-3-yl]propionic acid tert-butyl ester Formula: C33H38N2O4 MolecularWeight: 526.66582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)N(C)CCC4=CC=CC=C4

InChI

InChI=1S/C33H38N2O4/c1-33(2,3)39-32(37)18-15-27-22-35(23-31(36)34(4)20-19-25-11-7-5-8-12-25)30-17-16-28(21-29(27)30)38-24-26-13-9-6-10-14-26/h5-14,16-17,21-22H,15,18-20,23-24H2,1-4H3