2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-phenyl-propionic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-13(24)22-16(10-15-7-8-18-19(11-15)29-12-28-18)20(25)23-17(21(26)27)9-14-5-3-2-4-6-14/h2-8,10-11,17H,9,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)/b16-10-