4-[[5-[2,2-dimethyl-3-oxidanylidene-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-[2,2-dimethyl-3-oxidanylidene-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-[2,2-dimethyl-3-oxo-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[2,2-dimethyl-3-oxo-3-(propylamino)propyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-[2,2-dimethyl-3-oxo-3-(propylamino)propyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-[3-keto-2,2-dimethyl-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)(C)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC

Isomeric SMILES

CCCNC(=O)C(C)(C)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC

InChI

InChI=1S/C28H36N2O4/c1-6-12-29-27(33)28(3,4)17-19-8-11-24-23(14-19)22(18-30(24)13-7-2)15-20-9-10-21(26(31)32)16-25(20)34-5/h8-11,14,16,18H,6-7,12-13,15,17H2,1-5H3,(H,29,33)(H,31,32)