2-[[5-aminocarbonyl-9-(phenylmethyl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]oxymethyl]benzoic acid

Systemtic Name: 2-[[5-aminocarbonyl-9-(phenylmethyl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]oxymethyl]benzoic acid Openeye Name: 2-[(9-benzyl-5-carbamoyl-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl)oxymethyl]benzoic acid CAS Name: 2-[[5-carbamoyl-9-(phenylmethyl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]oxymethyl]benzoic acid IUPAC Name: 2-[(9-benzyl-5-carbamoyl-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl)oxymethyl]benzoic acid Traditional Name: 2-[(9-benzyl-5-carbamoyl-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl)oxymethyl]benzoic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C(C1)N(C3=C2C=C(C=C3)OCC4=CC=CC=C4C(=O)O)CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CC(C2C(C1)N(C3=C2C=C(C=C3)OCC4=CC=CC=C4C(=O)O)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C28H28N2O4/c29-27(31)22-11-6-12-25-26(22)23-15-20(34-17-19-9-4-5-10-21(19)28(32)33)13-14-24(23)30(25)16-18-7-2-1-3-8-18/h1-5,7-10,13-15,22,25-26H,6,11-12,16-17H2,(H2,29,31)(H,32,33)