sodium (2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: sodium (2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: sodium (2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: sodium (2S)-2-[[(4-chlorophenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: sodium (2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: sodium (2S)-2-[(4-chlorobenzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionate Formula: C19H16ClN2NaO4 MolecularWeight: 394.78411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)OCC3=CC=C(C=C3)Cl.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)OCC3=CC=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C19H17ClN2O4.Na/c20-14-7-5-12(6-8-14)11-26-19(25)22-17(18(23)24)9-13-10-21-16-4-2-1-3-15(13)16;/h1-8,10,17,21H,9,11H2,(H,22,25)(H,23,24);/q;+1/p-1/t17-;/m0./s1