2-[4-[(2S)-2-benzamido-3-methoxy-3-oxidanylidene-propyl]pyrimidin-2-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(2S)-2-benzamido-3-methoxy-3-oxidanylidene-propyl]pyrimidin-2-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(2S)-2-benzamido-3-methoxy-3-oxo-propyl]pyrimidin-2-yl]-2-phenyl-acetic acid CAS Name: 2-[4-[(2S)-2-benzamido-3-methoxy-3-oxopropyl]-2-pyrimidinyl]-2-phenylacetic acid IUPAC Name: 2-[4-[(2S)-2-benzamido-3-methoxy-3-oxopropyl]pyrimidin-2-yl]-2-phenylacetic acid Traditional Name: 2-[4-[(2S)-2-benzamido-3-keto-3-methoxy-propyl]pyrimidin-2-yl]-2-phenyl-acetic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=NC(=NC=C1)C(C2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=NC(=NC=C1)C(C2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5/c1-31-23(30)18(26-21(27)16-10-6-3-7-11-16)14-17-12-13-24-20(25-17)19(22(28)29)15-8-4-2-5-9-15/h2-13,18-19H,14H2,1H3,(H,26,27)(H,28,29)/t18-,19?/m0/s1