ethyl 5-(1-adamantylcarbonyloxy)-2-methyl-1-phenyl-benzo[g]indole-3-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonyloxy)-2-methyl-1-phenyl-benzo[g]indole-3-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-benzo[g]indole-3-carboxylate CAS Name: 5-[1-adamantyl(oxo)methoxy]-2-methyl-1-phenyl-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenylbenzo[g]indole-3-carboxylate Traditional Name: 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-benz[g]indole-3-carboxylic acid ethyl ester Formula: C33H33NO4 MolecularWeight: 507.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C

InChI

InChI=1S/C33H33NO4/c1-3-37-31(35)29-20(2)34(24-9-5-4-6-10-24)30-26-12-8-7-11-25(26)28(16-27(29)30)38-32(36)33-17-21-13-22(18-33)15-23(14-21)19-33/h4-12,16,21-23H,3,13-15,17-19H2,1-2H3