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

Systemtic Name: sodium 3-[3-[(2-methanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoate Openeye Name: sodium 3-[3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-oxo-1-pentyl-indolin-3-yl]propanoate CAS Name: sodium 3-[3-[[(2-formyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]-2-oxo-1-pentyl-3-indolyl]propanoate IUPAC Name: sodium 3-[3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-oxo-1-pentylindol-3-yl]propanoate Traditional Name: sodium 3-[1-amyl-3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-keto-indolin-3-yl]propionate Formula: C27H30N3NaO5 MolecularWeight: 499.53397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)[O-])NC(=O)C3CC4=CC=CC=C4CN3C=O.[Na+]

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)[O-])NC(=O)C3CC4=CC=CC=C4CN3C=O.[Na+]

InChI

InChI=1S/C27H31N3O5.Na/c1-2-3-8-15-30-22-12-7-6-11-21(22)27(26(30)35,14-13-24(32)33)28-25(34)23-16-19-9-4-5-10-20(19)17-29(23)18-31;/h4-7,9-12,18,23H,2-3,8,13-17H2,1H3,(H,28,34)(H,32,33);/q;+1/p-1