methyl 1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-4-methylpentyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)-4-methylpentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C)C3=CC=CC=C3O

Isomeric SMILES

CC(C)CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C)C3=CC=CC=C3O

InChI

InChI=1S/C27H36N2O3/c1-18(2)12-21(23-8-6-7-9-26(23)30)16-29-17-22(15-28-14-19(3)4)24-13-20(27(31)32-5)10-11-25(24)29/h6-11,13,17-19,21,28,30H,12,14-16H2,1-5H3