ethyl 6-methoxy-7-octyl-9-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: ethyl 6-methoxy-7-octyl-9-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: ethyl 9-benzyl-6-methoxy-7-octyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 6-methoxy-7-octyl-9-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-benzyl-6-methoxy-7-octyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-benzyl-6-methoxy-7-octyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid ethyl ester Formula: C31H41NO3 MolecularWeight: 475.66214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C2C(=C1)N(C3=C2C(CCC3)C(=O)OCC)CC4=CC=CC=C4)OC

Isomeric SMILES

CCCCCCCCC1=C(C=C2C(=C1)N(C3=C2C(CCC3)C(=O)OCC)CC4=CC=CC=C4)OC

InChI

InChI=1S/C31H41NO3/c1-4-6-7-8-9-13-17-24-20-28-26(21-29(24)34-3)30-25(31(33)35-5-2)18-14-19-27(30)32(28)22-23-15-11-10-12-16-23/h10-12,15-16,20-21,25H,4-9,13-14,17-19,22H2,1-3H3