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

Systemtic Name: 5-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]pentanoic acid Openeye Name: 5-[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indol-3-yl]pentanoic acid CAS Name: 5-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolyl]pentanoic acid IUPAC Name: 5-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]pentanoic acid Traditional Name: 5-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indol-3-yl]valeric acid Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CCCCC(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CCCCC(=O)O

InChI

InChI=1S/C31H34N2O4/c1-32(19-18-24-10-4-2-5-11-24)30(34)22-33-21-26(14-8-9-15-31(35)36)28-20-27(16-17-29(28)33)37-23-25-12-6-3-7-13-25/h2-7,10-13,16-17,20-21H,8-9,14-15,18-19,22-23H2,1H3,(H,35,36)