tert-butyl 4-[[6-cyano-5-(2-phenylmethoxyethanoylamino)-2,3-dihydro-1H-inden-1-yl]amino]benzoate

Systemtic Name: tert-butyl 4-[[6-cyano-5-(2-phenylmethoxyethanoylamino)-2,3-dihydro-1H-inden-1-yl]amino]benzoate Openeye Name: tert-butyl 4-[[5-[(2-benzyloxyacetyl)amino]-6-cyano-indan-1-yl]amino]benzoate CAS Name: 4-[[6-cyano-5-[(1-oxo-2-phenylmethoxyethyl)amino]-2,3-dihydro-1H-inden-1-yl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-cyano-5-[(2-phenylmethoxyacetyl)amino]-2,3-dihydro-1H-inden-1-yl]amino]benzoate Traditional Name: 4-[[5-[(2-benzoxyacetyl)amino]-6-cyano-indan-1-yl]amino]benzoic acid tert-butyl ester Formula: C30H31N3O4 MolecularWeight: 497.58484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC2CCC3=C2C=C(C(=C3)NC(=O)COCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC2CCC3=C2C=C(C(=C3)NC(=O)COCC4=CC=CC=C4)C#N

InChI

InChI=1S/C30H31N3O4/c1-30(2,3)37-29(35)21-9-12-24(13-10-21)32-26-14-11-22-16-27(23(17-31)15-25(22)26)33-28(34)19-36-18-20-7-5-4-6-8-20/h4-10,12-13,15-16,26,32H,11,14,18-19H2,1-3H3,(H,33,34)