3-[(6,6,9-trimethyl-1-oxidanyl-benzo[c]chromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(6,6,9-trimethyl-1-oxidanyl-benzo[c]chromen-3-yl)carbonylamino]propanoic acid Openeye Name: 3-[(1-hydroxy-6,6,9-trimethyl-benzo[c]chromene-3-carbonyl)amino]propanoic acid CAS Name: 3-[[(1-hydroxy-6,6,9-trimethyl-3-benzo[c][1]benzopyranyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(1-hydroxy-6,6,9-trimethylbenzo[c]chromene-3-carbonyl)amino]propanoic acid Traditional Name: 3-[(1-hydroxy-6,6,9-trimethyl-benzo[c]chromene-3-carbonyl)amino]propionic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OC3=C2C(=CC(=C3)C(=O)NCCC(=O)O)O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(OC3=C2C(=CC(=C3)C(=O)NCCC(=O)O)O)(C)C

InChI

InChI=1S/C20H21NO5/c1-11-4-5-14-13(8-11)18-15(22)9-12(10-16(18)26-20(14,2)3)19(25)21-7-6-17(23)24/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,25)(H,23,24)