tert-butyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[3-(1H-indol-3-yl)propanoylamino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H31N3O4/c1-27(2,3)34-25(32)17-30-23-11-7-4-8-18(23)12-14-22(26(30)33)29-24(31)15-13-19-16-28-21-10-6-5-9-20(19)21/h4-11,16,22,28H,12-15,17H2,1-3H3,(H,29,31)