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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)pentyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)pentyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)pentyl]-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O3/c1-5-8-20(22-9-6-7-10-25(22)29)16-28-17-21(15-27-14-18(2)3)23-13-19(26(30)31-4)11-12-24(23)28/h6-7,9-13,17-18,20,27,29H,5,8,14-16H2,1-4H3