4-[[3-ethyl-7-(hexanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[3-ethyl-7-(hexanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-ethyl-7-(hexanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-ethyl-7-(1-oxohexylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-ethyl-7-(hexanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[7-(caproylamino)-3-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]-3-methoxy-benzoic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)C3=C(N2CC4=C(C=C(C=C4)C(=O)O)OC)CCC(C3)CC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)C3=C(N2CC4=C(C=C(C=C4)C(=O)O)OC)CCC(C3)CC

InChI

InChI=1S/C29H36N2O4/c1-4-6-7-8-28(32)30-22-12-13-23-24-15-19(5-2)9-14-25(24)31(26(23)17-22)18-21-11-10-20(29(33)34)16-27(21)35-3/h10-13,16-17,19H,4-9,14-15,18H2,1-3H3,(H,30,32)(H,33,34)