cyclopropa[b]indole; (2-methoxyphenyl) 2-cycloheptyl-2-oxidanyl-propanoate

Systemtic Name: cyclopropa[b]indole; (2-methoxyphenyl) 2-cycloheptyl-2-oxidanyl-propanoate Openeye Name: cyclopropa[b]indole; (2-methoxyphenyl) 2-cycloheptyl-2-hydroxy-propanoate CAS Name: 2-cycloheptyl-2-hydroxypropanoic acid (2-methoxyphenyl) ester; cyclopropa[b]indole IUPAC Name: cyclopropa[b]indole; (2-methoxyphenyl) 2-cycloheptyl-2-hydroxypropanoate Traditional Name: 2-cycloheptyl-2-hydroxy-propionic acid (2-methoxyphenyl) ester; cycloprop[b]indole Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCC1)(C(=O)OC2=CC=CC=C2OC)O.C1=CC=C2C(=C1)C3=CC3=N2

Isomeric SMILES

CC(C1CCCCCC1)(C(=O)OC2=CC=CC=C2OC)O.C1=CC=C2C(=C1)C3=CC3=N2

InChI

InChI=1S/C17H24O4.C9H5N/c1-17(19,13-9-5-3-4-6-10-13)16(18)21-15-12-8-7-11-14(15)20-2;1-2-4-8-6(3-1)7-5-9(7)10-8/h7-8,11-13,19H,3-6,9-10H2,1-2H3;1-5H