ethyl (E)-4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-1-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-1-yl]but-2-enoate Openeye Name: ethyl (E)-4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-1-yl]but-2-enoate CAS Name: (E)-4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]-oxomethyl]-1-indolyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-1-yl]but-2-enoate Traditional Name: (E)-4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-1-yl]but-2-enoic acid ethyl ester Formula: C42H46N2O3 MolecularWeight: 626.82624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NC(C4=CC=C(C=C4)CC(C)C)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CCOC(=O)/C=C/CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NC(C4=CC=C(C=C4)CC(C)C)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C42H46N2O3/c1-6-47-40(45)15-10-24-44-28-38(37-13-7-8-14-39(37)44)42(46)35-11-9-12-36(27-35)43-41(33-20-16-31(17-21-33)25-29(2)3)34-22-18-32(19-23-34)26-30(4)5/h7-23,27-30,41,43H,6,24-26H2,1-5H3/b15-10+