(phenylmethyl) 7-methoxy-9-(phenylcarbonyl)-6-(6-phenylhexoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: (phenylmethyl) 7-methoxy-9-(phenylcarbonyl)-6-(6-phenylhexoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 9-benzoyl-7-methoxy-6-(6-phenylhexoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-benzoyl-7-methoxy-6-(6-phenylhexoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-benzoyl-7-methoxy-6-(6-phenylhexoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-benzoyl-7-methoxy-6-(6-phenylhexoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C40H41NO5 MolecularWeight: 615.75724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C3=C2C(CCC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5)OCCCCCCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C3=C2C(CCC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5)OCCCCCCC6=CC=CC=C6

InChI

InChI=1S/C40H41NO5/c1-44-36-27-35-33(26-37(36)45-25-14-3-2-7-16-29-17-8-4-9-18-29)38-32(40(43)46-28-30-19-10-5-11-20-30)23-15-24-34(38)41(35)39(42)31-21-12-6-13-22-31/h4-6,8-13,17-22,26-27,32H,2-3,7,14-16,23-25,28H2,1H3