4-[1-[4-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-3-yl]butanoic acid

Systemtic Name: 4-[1-[4-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-3-yl]butanoic acid Openeye Name: 4-[1-[4-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-3-yl]butanoic acid CAS Name: 4-[1-[[4-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 4-[1-[4-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-3-yl]butanoic acid Traditional Name: 4-[1-[4-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-3-yl]butyric acid Formula: C40H44N2O3 MolecularWeight: 600.78896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=C(C=C3)C(=O)N4C=C(C5=CC=CC=C54)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=C(C=C3)C(=O)N4C=C(C5=CC=CC=C54)CCCC(=O)O

InChI

InChI=1S/C40H44N2O3/c1-27(2)24-29-12-16-31(17-13-29)39(32-18-14-30(15-19-32)25-28(3)4)41-35-22-20-33(21-23-35)40(45)42-26-34(8-7-11-38(43)44)36-9-5-6-10-37(36)42/h5-6,9-10,12-23,26-28,39,41H,7-8,11,24-25H2,1-4H3,(H,43,44)