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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3=C(CCC(C3)C(=O)OCC4=CC=CC=C4)N(C2=C1)C(=O)C5=CC=CC=C5)OCCCCCCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C2C3=C(CCC(C3)C(=O)OCC4=CC=CC=C4)N(C2=C1)C(=O)C5=CC=CC=C5)OCCCCCCC6=CC=CC=C6

InChI

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