tert-butyl 3-[[3-(3-ethoxy-3-oxidanylidene-propyl)-2-oxidanylidene-1-pentyl-indol-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[3-(3-ethoxy-3-oxidanylidene-propyl)-2-oxidanylidene-1-pentyl-indol-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[3-(3-ethoxy-3-oxo-propyl)-2-oxo-1-pentyl-indolin-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[3-(3-ethoxy-3-oxopropyl)-2-oxo-1-pentyl-3-indolyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(3-ethoxy-3-oxopropyl)-2-oxo-1-pentylindol-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[1-amyl-3-(3-ethoxy-3-keto-propyl)-2-keto-indolin-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C33H43N3O6 MolecularWeight: 577.71102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)OCC)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)OCC)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C33H43N3O6/c1-6-8-13-20-35-26-17-12-11-16-25(26)33(30(35)39,19-18-28(37)41-7-2)34-29(38)27-21-23-14-9-10-15-24(23)22-36(27)31(40)42-32(3,4)5/h9-12,14-17,27H,6-8,13,18-22H2,1-5H3,(H,34,38)