4-[[5-aminocarbonyl-2-(2-cyanoethyl)-9-(phenylmethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid

Systemtic Name: 4-[[5-aminocarbonyl-2-(2-cyanoethyl)-9-(phenylmethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid Openeye Name: 4-[[9-benzyl-5-carbamoyl-2-(2-cyanoethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid CAS Name: 4-[[5-carbamoyl-2-(2-cyanoethyl)-9-(phenylmethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid IUPAC Name: 4-[[9-benzyl-5-carbamoyl-2-(2-cyanoethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid Traditional Name: 4-[[9-benzyl-5-carbamoyl-2-(2-cyanoethyl)-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butyric acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(C3=CC(=C(C=C32)OCCCC(=O)O)CCC#N)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC(C2=C(C1)N(C3=CC(=C(C=C32)OCCCC(=O)O)CCC#N)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C27H29N3O4/c28-13-5-9-19-15-23-21(16-24(19)34-14-6-12-25(31)32)26-20(27(29)33)10-4-11-22(26)30(23)17-18-7-2-1-3-8-18/h1-3,7-8,15-16,20H,4-6,9-12,14,17H2,(H2,29,33)(H,31,32)