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

Systemtic Name: (phenylmethyl) 4-[3-[3-[1-[4-(2-methylpropyl)phenyl]ethyl-(phenylmethyl)amino]phenyl]carbonylindol-1-yl]butanoate Openeye Name: benzyl 4-[3-[3-[benzyl-[1-(4-isobutylphenyl)ethyl]amino]benzoyl]indol-1-yl]butanoate CAS Name: 4-[3-[[3-[1-[4-(2-methylpropyl)phenyl]ethyl-(phenylmethyl)amino]phenyl]-oxomethyl]-1-indolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[3-[benzyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]benzoyl]indol-1-yl]butanoate Traditional Name: 4-[3-[3-[benzyl-[1-(4-isobutylphenyl)ethyl]amino]benzoyl]indol-1-yl]butyric acid benzyl ester Formula: C45H46N2O3 MolecularWeight: 662.85834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)N(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)N(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C45H46N2O3/c1-33(2)28-35-23-25-38(26-24-35)34(3)47(30-36-14-6-4-7-15-36)40-19-12-18-39(29-40)45(49)42-31-46(43-21-11-10-20-41(42)43)27-13-22-44(48)50-32-37-16-8-5-9-17-37/h4-12,14-21,23-26,29,31,33-34H,13,22,27-28,30,32H2,1-3H3