ethyl 3-[2-oxidanylidene-1-pentyl-3-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)indol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-oxidanylidene-1-pentyl-3-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)indol-3-yl]propanoate Openeye Name: ethyl 3-[2-oxo-1-pentyl-3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)indolin-3-yl]propanoate CAS Name: 3-[2-oxo-3-[[oxo(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amino]-1-pentyl-3-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-oxo-1-pentyl-3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)indol-3-yl]propanoate Traditional Name: 3-[1-amyl-2-keto-3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)indolin-3-yl]propionic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)OCC)NC(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)OCC)NC(=O)C3CC4=CC=CC=C4CN3

InChI

InChI=1S/C28H35N3O4/c1-3-5-10-17-31-24-14-9-8-13-22(24)28(27(31)34,16-15-25(32)35-4-2)30-26(33)23-18-20-11-6-7-12-21(20)19-29-23/h6-9,11-14,23,29H,3-5,10,15-19H2,1-2H3,(H,30,33)