(3S)-3-(3-methoxy-4-propoxy-phenyl)-3-(quinazolin-4-ylamino)propanoate

Systemtic Name: (3S)-3-(3-methoxy-4-propoxy-phenyl)-3-(quinazolin-4-ylamino)propanoate Openeye Name: (3S)-3-(3-methoxy-4-propoxy-phenyl)-3-(quinazolin-4-ylamino)propanoate CAS Name: (3S)-3-(3-methoxy-4-propoxyphenyl)-3-(4-quinazolinylamino)propanoate IUPAC Name: (3S)-3-(3-methoxy-4-propoxyphenyl)-3-(quinazolin-4-ylamino)propanoate Traditional Name: (3S)-3-(3-methoxy-4-propoxy-phenyl)-3-(quinazolin-4-ylamino)propionate Formula: C21H22N3O4- MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)[O-])NC2=NC=NC3=CC=CC=C32)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](CC(=O)[O-])NC2=NC=NC3=CC=CC=C32)OC

InChI

InChI=1S/C21H23N3O4/c1-3-10-28-18-9-8-14(11-19(18)27-2)17(12-20(25)26)24-21-15-6-4-5-7-16(15)22-13-23-21/h4-9,11,13,17H,3,10,12H2,1-2H3,(H,25,26)(H,22,23,24)/p-1/t17-/m0/s1