[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

Isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

InChI

InChI=1S/C27H29N3O4/c1-17(31)29-23(13-18-15-28-22-11-7-5-9-20(18)22)26(33)34-16-19(32)14-25-27(2,3)21-10-6-8-12-24(21)30(25)4/h5-12,14-15,23,28H,13,16H2,1-4H3,(H,29,31)/t23-/m1/s1