tert-butyl 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(1H-indole-2-carbonylamino)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetate CAS Name: 2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(1H-indole-2-carbonylamino)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetate Traditional Name: 2-[3-(1H-indole-2-carbonylamino)-2-keto-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid tert-butyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCCC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCCC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C26H29N3O4/c1-26(2,3)33-23(30)16-29-22-14-7-5-9-17(22)11-8-13-20(25(29)32)28-24(31)21-15-18-10-4-6-12-19(18)27-21/h4-7,9-10,12,14-15,20,27H,8,11,13,16H2,1-3H3,(H,28,31)