ethyl 2-[[4-(2-azanylethylcarbamoyl)-3-methoxy-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-(2-azanylethylcarbamoyl)-3-methoxy-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-(2-aminoethylcarbamoyl)-3-methoxy-benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[(2-aminoethylamino)-oxomethyl]-3-methoxyphenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-aminoethylcarbamoyl)-3-methoxybenzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(2-aminoethylcarbamoyl)-3-methoxy-benzoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NCCN)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NCCN)OC

InChI

InChI=1S/C22H27N3O5/c1-3-30-22(28)18(13-15-7-5-4-6-8-15)25-20(26)16-9-10-17(19(14-16)29-2)21(27)24-12-11-23/h4-10,14,18H,3,11-13,23H2,1-2H3,(H,24,27)(H,25,26)