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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)butyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)butyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)butyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)butyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)butyl]-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-5-18(21-8-6-7-9-24(21)28)15-27-16-20(14-26-13-17(2)3)22-12-19(25(29)30-4)10-11-23(22)27/h6-12,16-18,26,28H,5,13-15H2,1-4H3