ethyl 1-[4-methyl-2-[3-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]pentanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-methyl-2-[3-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]pentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-methyl-2-[1-oxo-3-(2-phenyl-1H-indol-3-yl)isoindolin-2-yl]pentanoyl]piperidine-4-carboxylate CAS Name: 1-[4-methyl-1-oxo-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]pentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]pentanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-keto-3-(2-phenyl-1H-indol-3-yl)isoindolin-2-yl]-4-methyl-pentanoyl]isonipecotic acid ethyl ester Formula: C36H39N3O4 MolecularWeight: 577.71256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CC(C)C)N2C(C3=CC=CC=C3C2=O)C4=C(NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(CC(C)C)N2C(C3=CC=CC=C3C2=O)C4=C(NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C36H39N3O4/c1-4-43-36(42)25-18-20-38(21-19-25)35(41)30(22-23(2)3)39-33(26-14-8-9-15-27(26)34(39)40)31-28-16-10-11-17-29(28)37-32(31)24-12-6-5-7-13-24/h5-17,23,25,30,33,37H,4,18-22H2,1-3H3