ethyl 3-[3-[(2-methanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoate

Systemtic Name: ethyl 3-[3-[(2-methanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoate Openeye Name: ethyl 3-[3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-oxo-1-pentyl-indolin-3-yl]propanoate CAS Name: 3-[3-[[(2-formyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]-2-oxo-1-pentyl-3-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-oxo-1-pentylindol-3-yl]propanoate Traditional Name: 3-[1-amyl-3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-keto-indolin-3-yl]propionic acid ethyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O5/c1-3-5-10-17-32-24-14-9-8-13-23(24)29(28(32)36,16-15-26(34)37-4-2)30-27(35)25-18-21-11-6-7-12-22(21)19-31(25)20-33/h6-9,11-14,20,25H,3-5,10,15-19H2,1-2H3,(H,30,35)