2-diethylaminoethyl 4-[(2-azanyl-3-phenyl-propanoyl)amino]-3-butoxy-benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-azanyl-3-phenyl-propanoyl)amino]-3-butoxy-benzoate Openeye Name: 2-diethylaminoethyl 4-[(2-amino-3-phenyl-propanoyl)amino]-3-butoxy-benzoate CAS Name: 4-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-amino-3-phenylpropanoyl)amino]-3-butoxybenzoate Traditional Name: 3-butoxy-4-(phenylalanylamino)benzoic acid 2-diethylaminoethyl ester Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C26H37N3O4/c1-4-7-16-32-24-19-21(26(31)33-17-15-29(5-2)6-3)13-14-23(24)28-25(30)22(27)18-20-11-9-8-10-12-20/h8-14,19,22H,4-7,15-18,27H2,1-3H3,(H,28,30)