2-[methyl-[3-(9H-xanthen-9-yl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[methyl-[3-(9H-xanthen-9-yl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[methyl-[3-(9H-xanthen-9-yl)propanoyl]amino]propanoic acid CAS Name: 2-[methyl-[1-oxo-3-(9H-xanthen-9-yl)propyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[methyl-[3-(9H-xanthen-9-yl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[methyl-[3-(9H-xanthen-9-yl)propanoyl]amino]propionic acid Formula: C33H31NO5 MolecularWeight: 521.60294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)CCC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)CCC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C33H31NO5/c1-34(29(33(36)37)21-23-15-17-25(18-16-23)38-22-24-9-3-2-4-10-24)32(35)20-19-26-27-11-5-7-13-30(27)39-31-14-8-6-12-28(26)31/h2-18,26,29H,19-22H2,1H3,(H,36,37)