2-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C=CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+