1-[[4-(azepan-2-yl)phenyl]-ethoxy-methyl]-3-chloranyl-2-(4-hydroxyphenyl)indol-5-ol

Systemtic Name: 1-[[4-(azepan-2-yl)phenyl]-ethoxy-methyl]-3-chloranyl-2-(4-hydroxyphenyl)indol-5-ol Openeye Name: 1-[[4-(azepan-2-yl)phenyl]-ethoxy-methyl]-3-chloro-2-(4-hydroxyphenyl)indol-5-ol CAS Name: 1-[[4-(2-azepanyl)phenyl]-ethoxymethyl]-3-chloro-2-(4-hydroxyphenyl)-5-indolol IUPAC Name: 1-[[4-(azepan-2-yl)phenyl]-ethoxymethyl]-3-chloro-2-(4-hydroxyphenyl)indol-5-ol Traditional Name: 1-[[4-(azepan-2-yl)phenyl]-ethoxy-methyl]-3-chloro-2-(4-hydroxyphenyl)indol-5-ol Formula: C29H31ClN2O3 MolecularWeight: 491.02104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=C(C=C1)C2CCCCCN2)N3C4=C(C=C(C=C4)O)C(=C3C5=CC=C(C=C5)O)Cl

Isomeric SMILES

CCOC(C1=CC=C(C=C1)C2CCCCCN2)N3C4=C(C=C(C=C4)O)C(=C3C5=CC=C(C=C5)O)Cl

InChI

InChI=1S/C29H31ClN2O3/c1-2-35-29(21-9-7-19(8-10-21)25-6-4-3-5-17-31-25)32-26-16-15-23(34)18-24(26)27(30)28(32)20-11-13-22(33)14-12-20/h7-16,18,25,29,31,33-34H,2-6,17H2,1H3