1-(carboxymethyl)-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Openeye Name: 7-benzyloxy-1-(carboxymethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid CAS Name: 1-(carboxymethyl)-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid IUPAC Name: 1-(carboxymethyl)-2-methyl-7-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Traditional Name: 7-benzoxy-1-(carboxymethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Formula: C25H28O5 MolecularWeight: 408.48682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC(=O)O)CCC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1(CCC2C(C1CC(=O)O)CCC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28O5/c1-25(24(28)29)12-11-20-19-10-8-18(30-15-16-5-3-2-4-6-16)13-17(19)7-9-21(20)22(25)14-23(26)27/h2-6,8,10,13,20-22H,7,9,11-12,14-15H2,1H3,(H,26,27)(H,28,29)