2-[[2-[2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-(4-allyloxy-3-chloro-phenyl)acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-(3-chloro-4-prop-2-enoxyphenyl)-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(4-allyloxy-3-chloro-phenyl)acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C29H29ClN2O5 MolecularWeight: 521.00396

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C29H29ClN2O5/c1-2-15-37-26-14-13-22(16-23(26)30)19-27(33)31-24(17-20-9-5-3-6-10-20)28(34)32-25(29(35)36)18-21-11-7-4-8-12-21/h2-14,16,24-25H,1,15,17-19H2,(H,31,33)(H,32,34)(H,35,36)