4-oxidanylidene-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]butanoic acid Openeye Name: 4-[2-(5-benzyloxy-1H-indol-3-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]butanoic acid IUPAC Name: 4-oxo-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]butanoic acid Traditional Name: 4-[2-(5-benzoxy-1H-indol-3-yl)ethylamino]-4-keto-butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNC(=O)CCC(=O)O

InChI

InChI=1S/C21H22N2O4/c24-20(8-9-21(25)26)22-11-10-16-13-23-19-7-6-17(12-18(16)19)27-14-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2,(H,22,24)(H,25,26)