(3S)-3-(4-ethoxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate

Systemtic Name: (3S)-3-(4-ethoxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate Openeye Name: (3S)-3-(4-ethoxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoate CAS Name: (3S)-3-(4-ethoxyphenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoate IUPAC Name: (3S)-3-(4-ethoxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoate Traditional Name: (3S)-3-p-phenetyl-3-(9H-xanthene-9-carbonylamino)propionate Formula: C25H22NO5- MolecularWeight: 416.44588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C25H23NO5/c1-2-30-17-13-11-16(12-14-17)20(15-23(27)28)26-25(29)24-18-7-3-5-9-21(18)31-22-10-6-4-8-19(22)24/h3-14,20,24H,2,15H2,1H3,(H,26,29)(H,27,28)/p-1/t20-/m0/s1