5-(4-phenylmethoxyphenyl)-4-(7-pyridin-3-ylheptanoylamino)pentanoic acid

Systemtic Name: 5-(4-phenylmethoxyphenyl)-4-(7-pyridin-3-ylheptanoylamino)pentanoic acid Openeye Name: 5-(4-benzyloxyphenyl)-4-[7-(3-pyridyl)heptanoylamino]pentanoic acid CAS Name: 4-[[1-oxo-7-(3-pyridinyl)heptyl]amino]-5-(4-phenylmethoxyphenyl)pentanoic acid IUPAC Name: 5-(4-phenylmethoxyphenyl)-4-(7-pyridin-3-ylheptanoylamino)pentanoic acid Traditional Name: 5-(4-benzoxyphenyl)-4-[7-(3-pyridyl)heptanoylamino]valeric acid Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CCC(=O)O)NC(=O)CCCCCCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CCC(=O)O)NC(=O)CCCCCCC3=CN=CC=C3

InChI

InChI=1S/C30H36N2O4/c33-29(13-7-2-1-4-9-25-12-8-20-31-22-25)32-27(16-19-30(34)35)21-24-14-17-28(18-15-24)36-23-26-10-5-3-6-11-26/h3,5-6,8,10-12,14-15,17-18,20,22,27H,1-2,4,7,9,13,16,19,21,23H2,(H,32,33)(H,34,35)