[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(ethoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: [[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(ethoxycarbonylamino)-3-phenyl-propanoate Openeye Name: [(2-guanidinobenzoyl)amino] 2-(ethoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-(ethoxycarbonylamino)-3-phenylpropanoic acid [[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino] ester IUPAC Name: [[2-(diaminomethylideneamino)benzoyl]amino] 2-(ethoxycarbonylamino)-3-phenylpropanoate Traditional Name: 2-(carbethoxyamino)-3-phenyl-propionic acid [(2-guanidinobenzoyl)amino] ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC=CC=C2N=C(N)N

Isomeric SMILES

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC=CC=C2N=C(N)N

InChI

InChI=1S/C20H23N5O5/c1-2-29-20(28)24-16(12-13-8-4-3-5-9-13)18(27)30-25-17(26)14-10-6-7-11-15(14)23-19(21)22/h3-11,16H,2,12H2,1H3,(H,24,28)(H,25,26)(H4,21,22,23)