bicyclo[2.2.0]hexa-1(4),2,5-triene; (1-methylindol-3-yl) 3-phenylmethoxy-2-propoxy-propanoate

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (1-methylindol-3-yl) 3-phenylmethoxy-2-propoxy-propanoate Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (1-methylindol-3-yl) 3-benzyloxy-2-propoxy-propanoate CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-phenylmethoxy-2-propoxypropanoic acid (1-methyl-3-indolyl) ester IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (1-methylindol-3-yl) 3-phenylmethoxy-2-propoxypropanoate Traditional Name: 3-benzoxy-2-propoxy-propionic acid (1-methylindol-3-yl) ester; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(COCC1=CC=CC=C1)C(=O)OC2=CN(C3=CC=CC=C32)C.C1=CC2=C1C=C2

Isomeric SMILES

CCCOC(COCC1=CC=CC=C1)C(=O)OC2=CN(C3=CC=CC=C32)C.C1=CC2=C1C=C2

InChI

InChI=1S/C22H25NO4.C6H4/c1-3-13-26-21(16-25-15-17-9-5-4-6-10-17)22(24)27-20-14-23(2)19-12-8-7-11-18(19)20;1-2-6-4-3-5(1)6/h4-12,14,21H,3,13,15-16H2,1-2H3;1-4H