ethyl 4-[3-[3-[[4-(2-methylpropyl)phenyl]methyl-phenylmethoxycarbonyl-amino]phenyl]carbonylindol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-[3-[[4-(2-methylpropyl)phenyl]methyl-phenylmethoxycarbonyl-amino]phenyl]carbonylindol-1-yl]butanoate Openeye Name: ethyl 4-[3-[3-[benzyloxycarbonyl-[(4-isobutylphenyl)methyl]amino]benzoyl]indol-1-yl]butanoate CAS Name: 4-[3-[[3-[[4-(2-methylpropyl)phenyl]methyl-phenylmethoxycarbonylamino]phenyl]-oxomethyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-[[4-(2-methylpropyl)phenyl]methyl-phenylmethoxycarbonylamino]benzoyl]indol-1-yl]butanoate Traditional Name: 4-[3-[3-[carbobenzoxy-(4-isobutylbenzyl)amino]benzoyl]indol-1-yl]butyric acid ethyl ester Formula: C40H42N2O5 MolecularWeight: 630.77188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N(CC4=CC=C(C=C4)CC(C)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N(CC4=CC=C(C=C4)CC(C)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C40H42N2O5/c1-4-46-38(43)18-11-23-41-27-36(35-16-8-9-17-37(35)41)39(44)33-14-10-15-34(25-33)42(40(45)47-28-32-12-6-5-7-13-32)26-31-21-19-30(20-22-31)24-29(2)3/h5-10,12-17,19-22,25,27,29H,4,11,18,23-24,26,28H2,1-3H3