2-methyl-3-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]propanoic acid

Systemtic Name: 2-methyl-3-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]propanoic acid Openeye Name: 3-[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indol-3-yl]-2-methyl-propanoic acid CAS Name: 2-methyl-3-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolyl]propanoic acid IUPAC Name: 2-methyl-3-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid Traditional Name: 3-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indol-3-yl]-2-methyl-propionic acid Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)N(C)CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CC1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)N(C)CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H32N2O4/c1-22(30(34)35)17-25-19-32(20-29(33)31(2)16-15-23-9-5-3-6-10-23)28-14-13-26(18-27(25)28)36-21-24-11-7-4-8-12-24/h3-14,18-19,22H,15-17,20-21H2,1-2H3,(H,34,35)