5,6-dihydrophenanthrene-1-carboxamide; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 5,6-dihydrophenanthrene-1-carboxamide; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)propanoic acid; 5,6-dihydrophenanthrene-1-carboxamide CAS Name: 5,6-dihydrophenanthrene-1-carboxamide; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 5,6-dihydrophenanthrene-1-carboxamide; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)propionic acid; 5,6-dihydrophenanthrene-1-carboxamide Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CC2=C(C=C1)C=CC3=C2C=CC=C3C(=O)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CC2=C(C=C1)C=CC3=C2C=CC=C3C(=O)N

InChI

InChI=1S/C15H13NO.C11H13NO4/c16-15(17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h1,3-4,6-9H,2,5H2,(H2,16,17);2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t;8-/m.0/s1