(phenylmethyl) (NE)-N-[azanyl-[4-(2-azanylethanoylamino)phenyl]methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[azanyl-[4-(2-azanylethanoylamino)phenyl]methylidene]carbamate Openeye Name: benzyl (NE)-N-[amino-[4-[(2-aminoacetyl)amino]phenyl]methylene]carbamate CAS Name: (NE)-N-[amino-[4-[(2-amino-1-oxoethyl)amino]phenyl]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino-[4-[(2-aminoacetyl)amino]phenyl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[4-(glycylamino)phenyl]methylene]carbamic acid benzyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N=C(C2=CC=C(C=C2)NC(=O)CN)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/N=C(\C2=CC=C(C=C2)NC(=O)CN)/N

InChI

InChI=1S/C17H18N4O3/c18-10-15(22)20-14-8-6-13(7-9-14)16(19)21-17(23)24-11-12-4-2-1-3-5-12/h1-9H,10-11,18H2,(H,20,22)(H2,19,21,23)