ethyl 1-[[4-[1-cycloheptyl-2-oxidanylidene-2-[(2-oxidanyl-1-phenyl-ethyl)amino]ethyl]phenyl]methyl]indole-2-carboxylate

Systemtic Name: ethyl 1-[[4-[1-cycloheptyl-2-oxidanylidene-2-[(2-oxidanyl-1-phenyl-ethyl)amino]ethyl]phenyl]methyl]indole-2-carboxylate Openeye Name: ethyl 1-[[4-[1-cycloheptyl-2-[(2-hydroxy-1-phenyl-ethyl)amino]-2-oxo-ethyl]phenyl]methyl]indole-2-carboxylate CAS Name: 1-[[4-[1-cycloheptyl-2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]phenyl]methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-[1-cycloheptyl-2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]phenyl]methyl]indole-2-carboxylate Traditional Name: 1-[4-[1-cycloheptyl-2-[(2-hydroxy-1-phenyl-ethyl)amino]-2-keto-ethyl]benzyl]indole-2-carboxylic acid ethyl ester Formula: C35H40N2O4 MolecularWeight: 552.7031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2N1CC3=CC=C(C=C3)C(C4CCCCCC4)C(=O)NC(CO)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2N1CC3=CC=C(C=C3)C(C4CCCCCC4)C(=O)NC(CO)C5=CC=CC=C5

InChI

InChI=1S/C35H40N2O4/c1-2-41-35(40)32-22-29-16-10-11-17-31(29)37(32)23-25-18-20-28(21-19-25)33(27-14-6-3-4-7-15-27)34(39)36-30(24-38)26-12-8-5-9-13-26/h5,8-13,16-22,27,30,33,38H,2-4,6-7,14-15,23-24H2,1H3,(H,36,39)