ethyl 2-[[(1-ethylindol-2-yl)carbonyl-propan-2-yl-amino]methyl]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[(1-ethylindol-2-yl)carbonyl-propan-2-yl-amino]methyl]-4-phenyl-butanoate Openeye Name: ethyl 2-[[(1-ethylindole-2-carbonyl)-isopropyl-amino]methyl]-4-phenyl-butanoate CAS Name: 2-[[[(1-ethyl-2-indolyl)-oxomethyl]-propan-2-ylamino]methyl]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[(1-ethylindole-2-carbonyl)-propan-2-ylamino]methyl]-4-phenylbutanoate Traditional Name: 2-[[(1-ethylindole-2-carbonyl)-isopropyl-amino]methyl]-4-phenyl-butyric acid ethyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C=C1C(=O)N(CC(CCC3=CC=CC=C3)C(=O)OCC)C(C)C

Isomeric SMILES

CCN1C2=CC=CC=C2C=C1C(=O)N(CC(CCC3=CC=CC=C3)C(=O)OCC)C(C)C

InChI

InChI=1S/C27H34N2O3/c1-5-28-24-15-11-10-14-22(24)18-25(28)26(30)29(20(3)4)19-23(27(31)32-6-2)17-16-21-12-8-7-9-13-21/h7-15,18,20,23H,5-6,16-17,19H2,1-4H3