methyl 2-methyl-5-oxidanyl-1-[2-(4-propylphenoxy)ethyl]benzo[g]indole-3-carboxylate

Systemtic Name: methyl 2-methyl-5-oxidanyl-1-[2-(4-propylphenoxy)ethyl]benzo[g]indole-3-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-1-[2-(4-propylphenoxy)ethyl]benzo[g]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[2-(4-propylphenoxy)ethyl]-3-benzo[g]indolecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-1-[2-(4-propylphenoxy)ethyl]benzo[g]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[2-(4-propylphenoxy)ethyl]benz[g]indole-3-carboxylic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCN2C(=C(C3=C2C4=CC=CC=C4C(=C3)O)C(=O)OC)C

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCN2C(=C(C3=C2C4=CC=CC=C4C(=C3)O)C(=O)OC)C

InChI

InChI=1S/C26H27NO4/c1-4-7-18-10-12-19(13-11-18)31-15-14-27-17(2)24(26(29)30-3)22-16-23(28)20-8-5-6-9-21(20)25(22)27/h5-6,8-13,16,28H,4,7,14-15H2,1-3H3