4-[1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-indol-2-yl]phenol

Systemtic Name: 4-[1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-indol-2-yl]phenol Openeye Name: 4-[1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-5-benzyloxy-3-methyl-indol-2-yl]phenol CAS Name: 4-[1-[[4-[1-(2-azepanyl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-indolyl]phenol IUPAC Name: 4-[1-[[4-[1-(azepan-2-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol Traditional Name: 4-[1-[4-[1-(azepan-2-yl)ethoxy]benzyl]-5-benzoxy-3-methyl-indol-2-yl]phenol Formula: C37H40N2O3 MolecularWeight: 560.7251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OC(C)C5CCCCCN5)C6=CC=C(C=C6)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OC(C)C5CCCCCN5)C6=CC=C(C=C6)O

InChI

InChI=1S/C37H40N2O3/c1-26-34-23-33(41-25-29-9-5-3-6-10-29)20-21-36(34)39(37(26)30-14-16-31(40)17-15-30)24-28-12-18-32(19-13-28)42-27(2)35-11-7-4-8-22-38-35/h3,5-6,9-10,12-21,23,27,35,38,40H,4,7-8,11,22,24-25H2,1-2H3