2-[[[4-[[4-(aminomethyl)phenyl]amino]-4-oxidanylidene-butanoyl]amino]-phenyl-methyl]butanoate

Systemtic Name: 2-[[[4-[[4-(aminomethyl)phenyl]amino]-4-oxidanylidene-butanoyl]amino]-phenyl-methyl]butanoate Openeye Name: 2-[[[4-[4-(aminomethyl)anilino]-4-oxo-butanoyl]amino]-phenyl-methyl]butanoate CAS Name: 2-[[[4-[4-(aminomethyl)anilino]-1,4-dioxobutyl]amino]-phenylmethyl]butanoate IUPAC Name: 2-[[[4-[4-(aminomethyl)anilino]-4-oxobutanoyl]amino]-phenylmethyl]butanoate Traditional Name: 2-[[[4-[4-(aminomethyl)anilino]-4-keto-butanoyl]amino]-phenyl-methyl]butyrate Formula: C22H26N3O4- MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)CN)C(=O)[O-]

Isomeric SMILES

CCC(C(C1=CC=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)CN)C(=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-2-18(22(28)29)21(16-6-4-3-5-7-16)25-20(27)13-12-19(26)24-17-10-8-15(14-23)9-11-17/h3-11,18,21H,2,12-14,23H2,1H3,(H,24,26)(H,25,27)(H,28,29)/p-1