3-[[(Z)-3-anthracen-9-yl-2-benzamido-prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(Z)-3-anthracen-9-yl-2-benzamido-prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(Z)-3-(9-anthryl)-2-benzamido-prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(Z)-3-(9-anthracenyl)-2-benzamido-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(Z)-3-anthracen-9-yl-2-benzamidoprop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(Z)-3-(9-anthryl)-2-benzamido-acryloyl]amino]propionic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\C2=C3C=CC=CC3=CC4=CC=CC=C42)/C(=O)NCCC(=O)O

InChI

InChI=1S/C27H22N2O4/c30-25(31)14-15-28-27(33)24(29-26(32)18-8-2-1-3-9-18)17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,16-17H,14-15H2,(H,28,33)(H,29,32)(H,30,31)/b24-17-